N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

C17H12Cl2N2O2 — CID 112807159

IUPACN-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2O2/c1-10-2-7-14(13(19)8-10)20-17(22)15-9-16(23-21-15)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,20,22)
InChIKeyFFFXDQLTNOZJGI-UHFFFAOYSA-N
MW347.20 g/mol
LogP5.21
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide

N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 112807159) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID112807159
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC NameN-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2O2/c1-10-2-7-14(13(19)8-10)20-17(22)15-9-16(23-21-15)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,20,22)
InChIKeyFFFXDQLTNOZJGI-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

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Related Compounds

N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807161
N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17022037
5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 100777051
N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 26052595
N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506
5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 1252354
N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836
5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17252743
5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 3236497
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
N-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962282

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 112807159) is N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FFFXDQLTNOZJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-10-2-7-14(13(19)8-10)20-17(22)15-9-16(23-21-15)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,20,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide?
N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-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 N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 112807159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).