N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide

C12H10F2N2O2 — CID 17026519

IUPACN-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(F)cc2F)c1C
InChIInChI=1S/C12H10F2N2O2/c1-6-7(2)18-16-11(6)12(17)15-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3,(H,15,17)
InChIKeyPEMYKKJMSXAZPS-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.82
Rot. Bonds2

About N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide

N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 17026519) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID17026519
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC NameN-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(F)cc2F)c1C
InChIInChI=1S/C12H10F2N2O2/c1-6-7(2)18-16-11(6)12(17)15-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3,(H,15,17)
InChIKeyPEMYKKJMSXAZPS-UHFFFAOYSA-N
XLogP2.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-difluorophenoxy)methyl]-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483878
N-(2,4-difluorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442939
3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805617
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-(2,4-difluorophenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465588
2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide
CID 109101087
N-(2,4-difluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 26360076
N-(2,4-difluorophenyl)-5-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19442505
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
4-[(2,4-difluorophenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483823
(5S)-5-tert-butyl-N-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 41098588

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide (CID 17026519) is N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccc(F)cc2F)c1C.
What is the InChIKey of N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is PEMYKKJMSXAZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c1-6-7(2)18-16-11(6)12(17)15-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3,(H,15,17).
What are the key properties of N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 252.22 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17026519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).