5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide

C14H15FN2O2 — CID 110647364

IUPAC5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cnoc1-c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2/c1-9(2)7-16-14(18)12-8-17-19-13(12)10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,18)
InChIKeyKTVBFQYGJCHFOM-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.87
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide

5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide (PubChem CID 110647364) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
PubChem CID110647364
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cnoc1-c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2/c1-9(2)7-16-14(18)12-8-17-19-13(12)10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,18)
InChIKeyKTVBFQYGJCHFOM-UHFFFAOYSA-N
XLogP2.87
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170223
5-(4-methylphenyl)-N-(2-phenylpropyl)-1,2-oxazole-4-carboxamide
CID 59170277
N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110647434
N-(3-acetamidophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110650555
5-(4-fluorophenyl)-1,2-oxazol-4-amine
CID 82410181
6-(4-fluorophenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491162
N-(4-cyanophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110651346
5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110647993
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110410101
N-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170050
3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
CID 53169222
N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170194

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide (CID 110647364) is 5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide is CC(C)CNC(=O)c1cnoc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide?
The InChIKey is KTVBFQYGJCHFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-9(2)7-16-14(18)12-8-17-19-13(12)10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,18).
What are the key properties of 5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide?
5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110647364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).