5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide

C17H12ClFN2O2 — CID 99842444

IUPAC5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(F)cc1
InChIInChI=1S/C17H12ClFN2O2/c1-21(14-8-6-13(19)7-9-14)17(22)15-10-16(23-20-15)11-2-4-12(18)5-3-11/h2-10H,1H3
InChIKeyLGMDLIXKOGNDII-UHFFFAOYSA-N
MW330.75 g/mol
LogP4.41
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 99842444) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID99842444
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC Name5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(C(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(F)cc1
InChIInChI=1S/C17H12ClFN2O2/c1-21(14-8-6-13(19)7-9-14)17(22)15-10-16(23-20-15)11-2-4-12(18)5-3-11/h2-10H,1H3
InChIKeyLGMDLIXKOGNDII-UHFFFAOYSA-N
XLogP4.41
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 69402172
N-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 46087261
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-chloro-2-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61061330
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylacetamide
CID 16878802
N-ethyl-5-(4-fluorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 109468168
N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 119655530
5-(3,4-difluorophenyl)-N-methoxy-N-methyl-1,2-oxazole-3-carboxamide
CID 91949636
N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-7-carboxamide
CID 123139259
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate
CID 16869687
5-chloro-N-(4-fluorophenyl)-2-hydroxy-N-methylbenzamide
CID 61063244
N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807161

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide (CID 99842444) is 5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide is CN(C(=O)c1cc(-c2ccc(Cl)cc2)on1)c1ccc(F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is LGMDLIXKOGNDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c1-21(14-8-6-13(19)7-9-14)17(22)15-10-16(23-20-15)11-2-4-12(18)5-3-11/h2-10H,1H3.
What are the key properties of 5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 330.75 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 99842444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).