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

C13H13FN2O2 — CID 17414759

IUPACN-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)noc2C)c(F)c1
InChIInChI=1S/C13H13FN2O2/c1-7-4-5-11(10(14)6-7)15-13(17)12-8(2)16-18-9(12)3/h4-6H,1-3H3,(H,15,17)
InChIKeyMLARXCCQFJJOSF-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.99
Rot. Bonds2

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

N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 17414759) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID17414759
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC NameN-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)noc2C)c(F)c1
InChIInChI=1S/C13H13FN2O2/c1-7-4-5-11(10(14)6-7)15-13(17)12-8(2)16-18-9(12)3/h4-6H,1-3H3,(H,15,17)
InChIKeyMLARXCCQFJJOSF-UHFFFAOYSA-N
XLogP2.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7548787
N-(4-chloro-2-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 113257836
N-(2-bromo-4-chlorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 81024357
N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 106834710
N-(2-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17174295
N-(5-acetamido-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 60557374
3-(4-bromophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805617
3-(2-chloro-6-fluorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9209306
3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369580
3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 17435298
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 51085319
N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 17026519

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 17414759) is N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2c(C)noc2C)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is MLARXCCQFJJOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-7-4-5-11(10(14)6-7)15-13(17)12-8(2)16-18-9(12)3/h4-6H,1-3H3,(H,15,17).
What are the key properties of N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17414759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).