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

C24H24N2O2 — CID 45487669

IUPACtrans-(1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1
InChIInChI=1S/C24H24N2O2/c27-23(25-24(14-15-24)18-10-5-2-6-11-18)20-13-7-12-19(20)21-16-22(28-26-21)17-8-3-1-4-9-17/h1-6,8-11,16,19-20H,7,12-15H2,(H,25,27)/t19-,20-/m1/s1
InChIKeyBTADUAVKUSTEPV-WOJBJXKFSA-N
MW372.47 g/mol
LogP5.03
Rot. Bonds5

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

trans-(1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide (PubChem CID 45487669) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is trans-(1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
PubChem CID45487669
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Nametrans-(1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1(c2ccccc2)CC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1
InChIInChI=1S/C24H24N2O2/c27-23(25-24(14-15-24)18-10-5-2-6-11-18)20-13-7-12-19(20)21-16-22(28-26-21)17-8-3-1-4-9-17/h1-6,8-11,16,19-20H,7,12-15H2,(H,25,27)/t19-,20-/m1/s1
InChIKeyBTADUAVKUSTEPV-WOJBJXKFSA-N
XLogP5.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide (CID 45487669) is trans-(1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide is O=C(NC1(c2ccccc2)CC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1.
What is the InChIKey of trans-(1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
The InChIKey is BTADUAVKUSTEPV-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-23(25-24(14-15-24)18-10-5-2-6-11-18)20-13-7-12-19(20)21-16-22(28-26-21)17-8-3-1-4-9-17/h1-6,8-11,16,19-20H,7,12-15H2,(H,25,27)/t19-,20-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
trans-(1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 5.03, 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-phenylcyclopropyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 45487669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).