3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide

C11H9ClN2O3 — CID 79492078

IUPAC3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccon1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H9ClN2O3/c12-9-5-7(1-2-10(9)15)11(16)13-6-8-3-4-17-14-8/h1-5,15H,6H2,(H,13,16)
InChIKeyWBTQECMZOIWFIQ-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.96
Rot. Bonds3

About 3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide

3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide (PubChem CID 79492078) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide
PubChem CID79492078
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccon1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H9ClN2O3/c12-9-5-7(1-2-10(9)15)11(16)13-6-8-3-4-17-14-8/h1-5,15H,6H2,(H,13,16)
InChIKeyWBTQECMZOIWFIQ-UHFFFAOYSA-N
XLogP1.96
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103842110
3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 104629295
3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47404576
3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 81170534
4-fluoro-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79487393
2,4-dihydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721251
N-[(4-carbamothioylphenyl)methyl]-3-chloro-4-hydroxybenzamide
CID 62309633
3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
CID 4807069
N-(1,2-oxazol-3-ylmethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103721386
2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 113331820
3-chloro-4-hydroxybenzohydrazide
CID 10954268
3-chloro-2-nitro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79833326

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide (CID 79492078) is 3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide is O=C(NCc1ccon1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide?
The InChIKey is WBTQECMZOIWFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c12-9-5-7(1-2-10(9)15)11(16)13-6-8-3-4-17-14-8/h1-5,15H,6H2,(H,13,16).
What are the key properties of 3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide?
3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide has a molecular weight of 252.66 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide is sourced from PubChem (CID 79492078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).