2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide

C17H12Cl2N2O2 — CID 84552918

IUPAC2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C17H12Cl2N2O2/c1-10-3-2-4-12(7-10)20-16(22)15-9-23-17(21-15)11-5-6-13(18)14(19)8-11/h2-9H,1H3,(H,20,22)
InChIKeyCRTGCZUOVCIFHP-UHFFFAOYSA-N
MW347.20 g/mol
LogP5.21
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide

2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 84552918) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID84552918
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C17H12Cl2N2O2/c1-10-3-2-4-12(7-10)20-16(22)15-9-23-17(21-15)11-5-6-13(18)14(19)8-11/h2-9H,1H3,(H,20,22)
InChIKeyCRTGCZUOVCIFHP-UHFFFAOYSA-N
XLogP5.21
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.20
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide 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

2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552788
N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552776
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 84552881
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552922
2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 84552982
2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84553164
2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid
CID 84552965
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552905
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552909
2-(3,4-dichlorophenyl)-N-(2-methyl-5-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84552907
2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide
CID 84557151

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 84552918) is 2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1cccc(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CRTGCZUOVCIFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-10-3-2-4-12(7-10)20-16(22)15-9-23-17(21-15)11-5-6-13(18)14(19)8-11/h2-9H,1H3,(H,20,22).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 347.20 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84552918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).