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

C27H30N2O2 — CID 45487650

IUPACtrans-(1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1(c2ccccc2)CCCCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1
InChIInChI=1S/C27H30N2O2/c30-26(28-27(17-8-3-9-18-27)21-13-6-2-7-14-21)23-16-10-15-22(23)24-19-25(31-29-24)20-11-4-1-5-12-20/h1-2,4-7,11-14,19,22-23H,3,8-10,15-18H2,(H,28,30)/t22-,23-/m1/s1
InChIKeyHJMOYONFUOKYTR-DHIUTWEWSA-N
MW414.55 g/mol
LogP6.20
Rot. Bonds5

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

trans-(1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide (PubChem CID 45487650) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is trans-(1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
PubChem CID45487650
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Nametrans-(1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1(c2ccccc2)CCCCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1
InChIInChI=1S/C27H30N2O2/c30-26(28-27(17-8-3-9-18-27)21-13-6-2-7-14-21)23-16-10-15-22(23)24-19-25(31-29-24)20-11-4-1-5-12-20/h1-2,4-7,11-14,19,22-23H,3,8-10,15-18H2,(H,28,30)/t22-,23-/m1/s1
InChIKeyHJMOYONFUOKYTR-DHIUTWEWSA-N
XLogP6.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093785
N-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093736
N-(3-methoxypropyl)-2-(3-methyl-5-isoxazolyl)benzamide
CID 2815027
3-Benzyl-5-phenylisoxazole
CID 849566
N-(3-acetylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 973882
N-(2,6-Diisopropyl-phenyl)-2-(3-dodecyl-isoxazol-5-yl)-2-phenyl-acetamide
CID 10554232
N-(2,4-Difluoro-phenyl)-2-(3-dodecyl-isoxazol-5-yl)-2-phenyl-acetamide
CID 18955387
N-isopropyl-3-(5-(4-((tetrahydro-2H-pyran-4-ylamino)methyl)phenyl)isoxazol-3-yl)benzamide
CID 53325496
N-((5-phenylisoxazol-3-yl)methyl)adamantan-1-amine
CID 72734428
Isoxazolopyridinone
CID 135442495
N-cyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093740

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide (CID 45487650) is trans-(1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide is O=C(NC1(c2ccccc2)CCCCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1.
What is the InChIKey of trans-(1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
The InChIKey is HJMOYONFUOKYTR-DHIUTWEWSA-N. The full InChI is InChI=1S/C27H30N2O2/c30-26(28-27(17-8-3-9-18-27)21-13-6-2-7-14-21)23-16-10-15-22(23)24-19-25(31-29-24)20-11-4-1-5-12-20/h1-2,4-7,11-14,19,22-23H,3,8-10,15-18H2,(H,28,30)/t22-,23-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
trans-(1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 6.20, 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-phenylcyclohexyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 45487650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).