N-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H17FN2O2 — CID 3239084

IUPACN-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCC1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C15H17FN2O2/c16-11-7-5-10(6-8-11)13-9-14(20-18-13)15(19)17-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2,(H,17,19)
InChIKeyMISQIFGEQGLCIQ-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.38
Rot. Bonds3

About N-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3239084) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3239084
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC NameN-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCC1)C1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C15H17FN2O2/c16-11-7-5-10(6-8-11)13-9-14(20-18-13)15(19)17-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2,(H,17,19)
InChIKeyMISQIFGEQGLCIQ-UHFFFAOYSA-N
XLogP2.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3239084) is N-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC1CCCC1)C1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of N-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is MISQIFGEQGLCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-11-7-5-10(6-8-11)13-9-14(20-18-13)15(19)17-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2,(H,17,19).
What are the key properties of N-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3239084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).