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

C17H12ClFN2O2 — CID 50805541

IUPAC3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H12ClFN2O2/c1-10-15(17(22)20-14-8-3-2-7-13(14)19)16(21-23-10)11-5-4-6-12(18)9-11/h2-9H,1H3,(H,20,22)
InChIKeyBCUHSCPETDNEOU-UHFFFAOYSA-N
MW330.75 g/mol
LogP4.69
Rot. Bonds3

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

3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 50805541) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID50805541
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC Name3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H12ClFN2O2/c1-10-15(17(22)20-14-8-3-2-7-13(14)19)16(21-23-10)11-5-4-6-12(18)9-11/h2-9H,1H3,(H,20,22)
InChIKeyBCUHSCPETDNEOU-UHFFFAOYSA-N
XLogP4.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 50805635
N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805843
N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805488
N-(3-chloro-2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26897303
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
3-(2-chloro-6-fluorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9209306
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805509
3-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129473
5-methyl-3-phenyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 1223086
3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369580
N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001782
N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001781

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 50805541) is 3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2cccc(Cl)c2)c1C(=O)Nc1ccccc1F.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is BCUHSCPETDNEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c1-10-15(17(22)20-14-8-3-2-7-13(14)19)16(21-23-10)11-5-4-6-12(18)9-11/h2-9H,1H3,(H,20,22).
What are the key properties of 3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 330.75 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 50805541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).