N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide

C25H25N3O3 — CID 86841240

IUPACN-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)cc1
InChIInChI=1S/C25H25N3O3/c29-23(26-19-8-4-5-9-19)17-12-14-20(15-13-17)27-24(30)21-22(16-10-11-16)31-25(28-21)18-6-2-1-3-7-18/h1-3,6-7,12-16,19H,4-5,8-11H2,(H,26,29)(H,27,30)
InChIKeyXXMWPXXEBDXPQD-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.14
Rot. Bonds6

About N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide

N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 86841240) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID86841240
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)cc1
InChIInChI=1S/C25H25N3O3/c29-23(26-19-8-4-5-9-19)17-12-14-20(15-13-17)27-24(30)21-22(16-10-11-16)31-25(28-21)18-6-2-1-3-7-18/h1-3,6-7,12-16,19H,4-5,8-11H2,(H,26,29)(H,27,30)
InChIKeyXXMWPXXEBDXPQD-UHFFFAOYSA-N
XLogP5.14
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 86841240) is N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide is O=C(NC1CCCC1)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)cc1.
What is the InChIKey of N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is XXMWPXXEBDXPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-23(26-19-8-4-5-9-19)17-12-14-20(15-13-17)27-24(30)21-22(16-10-11-16)31-25(28-21)18-6-2-1-3-7-18/h1-3,6-7,12-16,19H,4-5,8-11H2,(H,26,29)(H,27,30).
What are the key properties of N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylcarbamoyl)phenyl]-5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86841240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).