5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide

C15H17FN2O2 — CID 133149974

IUPAC5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
SMILESCCCC(C)NC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C15H17FN2O2/c1-3-4-10(2)17-15(19)13-9-14(20-18-13)11-5-7-12(16)8-6-11/h5-10H,3-4H2,1-2H3,(H,17,19)
InChIKeyOXSMJPXISMCIRC-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.40
Rot. Bonds5

About 5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 133149974) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID133149974
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
SMILESCCCC(C)NC(=O)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C15H17FN2O2/c1-3-4-10(2)17-15(19)13-9-14(20-18-13)11-5-7-12(16)8-6-11/h5-10H,3-4H2,1-2H3,(H,17,19)
InChIKeyOXSMJPXISMCIRC-UHFFFAOYSA-N
XLogP3.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 41098446
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
5-(3-methylphenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide
CID 46087302
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 110281714
5-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 110000783
5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 5016615
5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
CID 99600147
5-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]-1,2-oxazole-3-carboxamide
CID 146090228
3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369608
N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 93139934
5-(1,3-benzodioxol-5-yl)-N-[(2R)-butan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098515
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 46968640

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide (CID 133149974) is 5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide is CCCC(C)NC(=O)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is OXSMJPXISMCIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-3-4-10(2)17-15(19)13-9-14(20-18-13)11-5-7-12(16)8-6-11/h5-10H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-pentan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 133149974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).