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

C25H26N2O2 — CID 44555496

IUPACtrans-(1R,2R)-N-(1-phenylcyclobutyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1
InChIInChI=1S/C25H26N2O2/c28-24(26-25(15-8-16-25)19-11-5-2-6-12-19)21-14-7-13-20(21)22-17-23(29-27-22)18-9-3-1-4-10-18/h1-6,9-12,17,20-21H,7-8,13-16H2,(H,26,28)/t20-,21-/m1/s1
InChIKeyPXCZHJKWNFOZHN-NHCUHLMSSA-N
MW386.50 g/mol
LogP5.42
Rot. Bonds5

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

trans-(1R,2R)-N-(1-phenylcyclobutyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide (PubChem CID 44555496) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is trans-(1R,2R)-N-(1-phenylcyclobutyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(1-phenylcyclobutyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
PubChem CID44555496
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Nametrans-(1R,2R)-N-(1-phenylcyclobutyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1
InChIInChI=1S/C25H26N2O2/c28-24(26-25(15-8-16-25)19-11-5-2-6-12-19)21-14-7-13-20(21)22-17-23(29-27-22)18-9-3-1-4-10-18/h1-6,9-12,17,20-21H,7-8,13-16H2,(H,26,28)/t20-,21-/m1/s1
InChIKeyPXCZHJKWNFOZHN-NHCUHLMSSA-N
XLogP5.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.42
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-phenylcyclobutyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(1-phenylcyclobutyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide (CID 44555496) is trans-(1R,2R)-N-(1-phenylcyclobutyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(1-phenylcyclobutyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(1-phenylcyclobutyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide is O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2)on1.
What is the InChIKey of trans-(1R,2R)-N-(1-phenylcyclobutyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
The InChIKey is PXCZHJKWNFOZHN-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-24(26-25(15-8-16-25)19-11-5-2-6-12-19)21-14-7-13-20(21)22-17-23(29-27-22)18-9-3-1-4-10-18/h1-6,9-12,17,20-21H,7-8,13-16H2,(H,26,28)/t20-,21-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(1-phenylcyclobutyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide?
trans-(1R,2R)-N-(1-phenylcyclobutyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.42, 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-phenylcyclobutyl)-2-(5-phenyl-1,2-oxazol-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 44555496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).