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

C18H14ClFN2O2 — CID 50805488

IUPACN-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(-c2cccc(F)c2)noc1C
InChIInChI=1S/C18H14ClFN2O2/c1-10-6-7-13(19)9-15(10)21-18(23)16-11(2)24-22-17(16)12-4-3-5-14(20)8-12/h3-9H,1-2H3,(H,21,23)
InChIKeyLAHAEOAVSHLQNF-UHFFFAOYSA-N
MW344.77 g/mol
LogP5.00
Rot. Bonds3

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

N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 50805488) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID50805488
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(-c2cccc(F)c2)noc1C
InChIInChI=1S/C18H14ClFN2O2/c1-10-6-7-13(19)9-15(10)21-18(23)16-11(2)24-22-17(16)12-4-3-5-14(20)8-12/h3-9H,1-2H3,(H,21,23)
InChIKeyLAHAEOAVSHLQNF-UHFFFAOYSA-N
XLogP5.00
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.77
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805541
3-(3-chlorophenyl)-5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 50805635
N-(2-ethyl-6-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805433
N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805851
N-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805432
N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805843
3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369580
3-(2-chloro-6-fluorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9209306
N-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174120
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-(3-fluorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 50805643

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 50805488) is N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1c(-c2cccc(F)c2)noc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LAHAEOAVSHLQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c1-10-6-7-13(19)9-15(10)21-18(23)16-11(2)24-22-17(16)12-4-3-5-14(20)8-12/h3-9H,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 344.77 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 50805488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).