Molecule

2-(3-Amino-4-hydroxyphenyl)-5-benzoxazolemethanol; N-Ac

AlkaPlorer ID: AK057156

Synonym: Nocarbenzoxazole C

IUPAC Name: N-[2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl]acetamide

SMILES: CC(O)=NC1=CC(C2=NC3=CC(CO)=CC=C3O2)=CC=C1O

InChI: InChI=1S/C16H14N2O4/c1-9(20)17-12-7-11(3-4-14(12)21)16-18-13-6-10(8-19)2-5-15(13)22-16/h2-7,19,21H,8H2,1H3,(H,17,20)

InChIKey: NICTUELBYWYRBE-UHFFFAOYSA-N

PubChem CID: 137133300

LOTUS: LTS0147101

NPASS: NPC480793

COCONUT: CNP0312636

{

NPAtlas: NPA013848

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Nocardia	Nocardiaceae	Mycobacteriales	Actinomycetes	Actinomycetota	None	Bacteria
Nocardiopsis lucentensis	Nocardiopsis	Nocardiopsaceae	Streptosporangiales	Actinomycetes	Actinomycetota	None	Bacteria

Molecule Weight: 298.298

TPSA？: 99.08

MolLogP？: 3.300600000000001

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Candida albicans	Candida albicans	Activity	nan	None	10.1021/acs.jnatprod.5b00031
Homo sapiens	HeLa	IC50	50000.0	nM	10.1021/acs.jnatprod.5b00031
Homo sapiens	HepG2	IC50	50000.0	nM	10.1021/acs.jnatprod.5b00031
Homo sapiens	MDA-MB-231	IC50	50000.0	nM	10.1021/acs.jnatprod.5b00031
Homo sapiens	MDA-MB-435	IC50	50000.0	nM	10.1021/acs.jnatprod.5b00031
Homo sapiens	PC-3	IC50	50000.0	nM	10.1021/acs.jnatprod.5b00031
Mycolicibacterium smegmatis	Mycolicibacterium smegmatis	Activity	nan	None	10.1021/acs.jnatprod.5b00031
Staphylococcus aureus	Staphylococcus aureus	Activity	nan	None	10.1021/acs.jnatprod.5b00031