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

C13H13FN2O2 — CID 3239376

IUPACN-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(C)c(F)c2)o1
InChIInChI=1S/C13H13FN2O2/c1-7-4-5-10(6-11(7)14)16-13(17)12-8(2)15-9(3)18-12/h4-6H,1-3H3,(H,16,17)
InChIKeyXCGMTIJANBMDSF-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.99
Rot. Bonds2

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

N-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 3239376) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID3239376
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC NameN-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(C)c(F)c2)o1
InChIInChI=1S/C13H13FN2O2/c1-7-4-5-10(6-11(7)14)16-13(17)12-8(2)15-9(3)18-12/h4-6H,1-3H3,(H,16,17)
InChIKeyXCGMTIJANBMDSF-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

N-([1,1'-biphenyl]-2-yl)-4-methyloxazole-5-carboxamide
CID 3236618
N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 3240995
N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726
N-(3,3-diphenylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113431
N-1,1'-biphenyl-2-yl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 3237282
N-(3-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 3241545
N-[2-(aminocarbonyl)phenyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 3242953
4-methyl-N-(2-methylphenyl)-1,3-oxazole-5-carboxamide
CID 5307543
N-o-fluorophenyl-4-methyl-1,3-oxazole-5-carboxamide
CID 4140132
4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
CID 4140137
N-m-(trifluoromethyl)phenyl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113436
N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 53195141

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 3239376) is N-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(C)c(F)c2)o1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is XCGMTIJANBMDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-7-4-5-10(6-11(7)14)16-13(17)12-8(2)15-9(3)18-12/h4-6H,1-3H3,(H,16,17).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-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-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 3239376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).