N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H18N2O2 — CID 46489182

IUPACN-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCC1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C15H18N2O2/c18-15(16-12-8-4-5-9-12)14-10-13(17-19-14)11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2,(H,16,18)
InChIKeyBHPXTTCQGKHSTQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.24
Rot. Bonds3

About N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 46489182) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID46489182
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCC1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C15H18N2O2/c18-15(16-12-8-4-5-9-12)14-10-13(17-19-14)11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2,(H,16,18)
InChIKeyBHPXTTCQGKHSTQ-UHFFFAOYSA-N
XLogP2.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427951
N-cyclohexyl-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 101452103
(5S)-N-cyclohexyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638531
(5R)-N-cyclopropyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29089743
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55671021
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
(5R)-N-cyclohexyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7642879
(5S)-3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093576
(5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095185
N-(4-methyl-2-pyridinyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47028519
3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43353871
3-[4-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]phenyl]propanoic acid
CID 99607682

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 46489182) is N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NC1CCCC1)C1CC(c2ccccc2)=NO1.
What is the InChIKey of N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is BHPXTTCQGKHSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(16-12-8-4-5-9-12)14-10-13(17-19-14)11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10H2,(H,16,18).
What are the key properties of N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46489182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).