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

C24H26N2O2 — CID 45487662

IUPACtrans-(1R,2R)-2-(5-phenyl-1,2-oxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentane-1-carboxamide
SMILESCC(C)(NC(=O)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-24(2,18-12-7-4-8-13-18)25-23(27)20-15-9-14-19(20)21-16-22(28-26-21)17-10-5-3-6-11-17/h3-8,10-13,16,19-20H,9,14-15H2,1-2H3,(H,25,27)/t19-,20-/m1/s1
InChIKeyXUDXDGGENLXMSC-WOJBJXKFSA-N
MW374.48 g/mol
LogP5.28
Rot. Bonds5

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

trans-(1R,2R)-2-(5-phenyl-1,2-oxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentane-1-carboxamide (PubChem CID 45487662) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-phenyl-1,2-oxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-phenyl-1,2-oxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentane-1-carboxamide
PubChem CID45487662
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Nametrans-(1R,2R)-2-(5-phenyl-1,2-oxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentane-1-carboxamide
SMILESCC(C)(NC(=O)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-24(2,18-12-7-4-8-13-18)25-23(27)20-15-9-14-19(20)21-16-22(28-26-21)17-10-5-3-6-11-17/h3-8,10-13,16,19-20H,9,14-15H2,1-2H3,(H,25,27)/t19-,20-/m1/s1
InChIKeyXUDXDGGENLXMSC-WOJBJXKFSA-N
XLogP5.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5-phenyl-1,2-oxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(5-phenyl-1,2-oxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentane-1-carboxamide (CID 45487662) is trans-(1R,2R)-2-(5-phenyl-1,2-oxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(5-phenyl-1,2-oxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(5-phenyl-1,2-oxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentane-1-carboxamide is CC(C)(NC(=O)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1)c1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-(5-phenyl-1,2-oxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentane-1-carboxamide?
The InChIKey is XUDXDGGENLXMSC-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-24(2,18-12-7-4-8-13-18)25-23(27)20-15-9-14-19(20)21-16-22(28-26-21)17-10-5-3-6-11-17/h3-8,10-13,16,19-20H,9,14-15H2,1-2H3,(H,25,27)/t19-,20-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(5-phenyl-1,2-oxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentane-1-carboxamide?
trans-(1R,2R)-2-(5-phenyl-1,2-oxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentane-1-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(5-phenyl-1,2-oxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 45487662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).