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

C26H28N2O2 — CID 45487649

IUPACtrans-(1R,2R)-N-(1-phenylcyclopentyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1(c2ccccc2)CCCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1
InChIInChI=1S/C26H28N2O2/c29-25(27-26(16-7-8-17-26)20-12-5-2-6-13-20)22-15-9-14-21(22)23-18-24(30-28-23)19-10-3-1-4-11-19/h1-6,10-13,18,21-22H,7-9,14-17H2,(H,27,29)/t21-,22-/m1/s1
InChIKeyQMFCVUBOUYDJOF-FGZHOGPDSA-N
MW400.52 g/mol
LogP5.81
Rot. Bonds5

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

trans-(1R,2R)-N-(1-phenylcyclopentyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide (PubChem CID 45487649) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is trans-(1R,2R)-N-(1-phenylcyclopentyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(1-phenylcyclopentyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
PubChem CID45487649
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Nametrans-(1R,2R)-N-(1-phenylcyclopentyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1(c2ccccc2)CCCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1
InChIInChI=1S/C26H28N2O2/c29-25(27-26(16-7-8-17-26)20-12-5-2-6-13-20)22-15-9-14-21(22)23-18-24(30-28-23)19-10-3-1-4-11-19/h1-6,10-13,18,21-22H,7-9,14-17H2,(H,27,29)/t21-,22-/m1/s1
InChIKeyQMFCVUBOUYDJOF-FGZHOGPDSA-N
XLogP5.81
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.81
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-phenylcyclopentyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(1-phenylcyclopentyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide (CID 45487649) is trans-(1R,2R)-N-(1-phenylcyclopentyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(1-phenylcyclopentyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(1-phenylcyclopentyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide is O=C(NC1(c2ccccc2)CCCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1.
What is the InChIKey of trans-(1R,2R)-N-(1-phenylcyclopentyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
The InChIKey is QMFCVUBOUYDJOF-FGZHOGPDSA-N. The full InChI is InChI=1S/C26H28N2O2/c29-25(27-26(16-7-8-17-26)20-12-5-2-6-13-20)22-15-9-14-21(22)23-18-24(30-28-23)19-10-3-1-4-11-19/h1-6,10-13,18,21-22H,7-9,14-17H2,(H,27,29)/t21-,22-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(1-phenylcyclopentyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
trans-(1R,2R)-N-(1-phenylcyclopentyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 5.81, 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-phenylcyclopentyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 45487649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).