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

C12H11FN2O3 — CID 71802467

IUPACN-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(F)c2)on1
InChIInChI=1S/C12H11FN2O3/c1-7-3-4-8(5-9(7)13)14-12(16)10-6-11(17-2)15-18-10/h3-6H,1-2H3,(H,14,16)
InChIKeyLURVFFGLFGAVDX-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.38
Rot. Bonds3

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

N-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 71802467) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID71802467
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(F)c2)on1
InChIInChI=1S/C12H11FN2O3/c1-7-3-4-8(5-9(7)13)14-12(16)10-6-11(17-2)15-18-10/h3-6H,1-2H3,(H,14,16)
InChIKeyLURVFFGLFGAVDX-UHFFFAOYSA-N
XLogP2.38
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 90573837
3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide
CID 22597836
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 166215739
3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369102
3-methoxy-N-(2-methyl-5-nitrophenyl)-1,2-oxazole-5-carboxamide
CID 90573880
N-(3,4-dimethylphenyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574190
N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802469
N-(3-fluoro-4-methylphenyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide
CID 15999992
3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
5-ethyl-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 46422285
1-(3-fluoro-4-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032224
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide (CID 71802467) is N-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)Nc2ccc(C)c(F)c2)on1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is LURVFFGLFGAVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-7-3-4-8(5-9(7)13)14-12(16)10-6-11(17-2)15-18-10/h3-6H,1-2H3,(H,14,16).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
N-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 250.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).