trans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide

C23H24N2O2 — CID 45487661

IUPACtrans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
SMILESCC(NC(=O)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1)c1ccccc1
InChIInChI=1S/C23H24N2O2/c1-16(17-9-4-2-5-10-17)24-23(26)20-14-8-13-19(20)21-15-22(27-25-21)18-11-6-3-7-12-18/h2-7,9-12,15-16,19-20H,8,13-14H2,1H3,(H,24,26)/t16?,19-,20-/m1/s1
InChIKeyFKLXGULHDQPQHY-ODFWGIBRSA-N
MW360.46 g/mol
LogP5.10
Rot. Bonds5

About trans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide

trans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide (PubChem CID 45487661) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is trans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
PubChem CID45487661
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Nametrans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
SMILESCC(NC(=O)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1)c1ccccc1
InChIInChI=1S/C23H24N2O2/c1-16(17-9-4-2-5-10-17)24-23(26)20-14-8-13-19(20)21-15-22(27-25-21)18-11-6-3-7-12-18/h2-7,9-12,15-16,19-20H,8,13-14H2,1H3,(H,24,26)/t16?,19-,20-/m1/s1
InChIKeyFKLXGULHDQPQHY-ODFWGIBRSA-N
XLogP5.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(5-phenyl-1,2-oxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentane-1-carboxamide
CID 45487662
2-amino-N-[(1S)-1-phenylethyl]cyclopentane-1-carboxamide
CID 64851455
2-amino-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide
CID 79001242
2-(aminomethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 79025906
cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092665
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
CID 134523878
cis-(1R,2R)-2-ethyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 134523880
cis-(1S,2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide
CID 86595093
3,4-dimethyl-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 23910468
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(1S,6R)-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 103710093

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide (CID 45487661) is trans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide is CC(NC(=O)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1)c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
The InChIKey is FKLXGULHDQPQHY-ODFWGIBRSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-16(17-9-4-2-5-10-17)24-23(26)20-14-8-13-19(20)21-15-22(27-25-21)18-11-6-3-7-12-18/h2-7,9-12,15-16,19-20H,8,13-14H2,1H3,(H,24,26)/t16?,19-,20-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
trans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(1-phenylethyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 45487661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).