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

C11H7ClF2N2O2 — CID 86783353

IUPAC3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccon1)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C11H7ClF2N2O2/c12-9-8(13)2-1-7(10(9)14)11(17)15-5-6-3-4-18-16-6/h1-4H,5H2,(H,15,17)
InChIKeyWMUNXFIPYTYDIT-UHFFFAOYSA-N
MW272.64 g/mol
LogP2.54
Rot. Bonds3

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

3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide (PubChem CID 86783353) has the molecular formula C11H7ClF2N2O2 and a molecular weight of 272.64 g/mol. Its IUPAC name is 3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide
PubChem CID86783353
Molecular FormulaC11H7ClF2N2O2
Molecular Weight272.64 g/mol
Exact Mass272.02
IUPAC Name3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccon1)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C11H7ClF2N2O2/c12-9-8(13)2-1-7(10(9)14)11(17)15-5-6-3-4-18-16-6/h1-4H,5H2,(H,15,17)
InChIKeyWMUNXFIPYTYDIT-UHFFFAOYSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.64
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-chloro-2,4-difluoro-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-amino-2,6-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 81170611
2,4-dihydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721251
2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 113331820
4-fluoro-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79487393
3-chloro-2-nitro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79833326
3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79492078
5-chloro-2-(1,2-oxazol-3-ylmethylamino)benzoic acid
CID 81177559
2-iodo-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721254
2-hydroxy-4-methoxy-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79486904
3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103842110
5-bromo-2-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103721244
3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 81170534

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide (CID 86783353) is 3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide is O=C(NCc1ccon1)c1ccc(F)c(Cl)c1F.
What is the InChIKey of 3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide?
The InChIKey is WMUNXFIPYTYDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O2/c12-9-8(13)2-1-7(10(9)14)11(17)15-5-6-3-4-18-16-6/h1-4H,5H2,(H,15,17).
What are the key properties of 3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide?
3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide has a molecular weight of 272.64 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4-difluoro-N-(1,2-oxazol-3-ylmethyl)benzamide is sourced from PubChem (CID 86783353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).