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

C25H27N3O3 — CID 86881894

IUPAC5-cyclopropyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(N2CCC(NC(=O)c3nc(-c4ccccc4)oc3C3CC3)CC2)cc1
InChIInChI=1S/C25H27N3O3/c1-30-21-11-9-20(10-12-21)28-15-13-19(14-16-28)26-24(29)22-23(17-7-8-17)31-25(27-22)18-5-3-2-4-6-18/h2-6,9-12,17,19H,7-8,13-16H2,1H3,(H,26,29)
InChIKeyJGEHELNFAXTJNL-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.63
Rot. Bonds6

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

5-cyclopropyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 86881894) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID86881894
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name5-cyclopropyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(N2CCC(NC(=O)c3nc(-c4ccccc4)oc3C3CC3)CC2)cc1
InChIInChI=1S/C25H27N3O3/c1-30-21-11-9-20(10-12-21)28-15-13-19(14-16-28)26-24(29)22-23(17-7-8-17)31-25(27-22)18-5-3-2-4-6-18/h2-6,9-12,17,19H,7-8,13-16H2,1H3,(H,26,29)
InChIKeyJGEHELNFAXTJNL-UHFFFAOYSA-N
XLogP4.63
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 86881894) is 5-cyclopropyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-phenyl-1,3-oxazole-4-carboxamide is COc1ccc(N2CCC(NC(=O)c3nc(-c4ccccc4)oc3C3CC3)CC2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is JGEHELNFAXTJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-30-21-11-9-20(10-12-21)28-15-13-19(14-16-28)26-24(29)22-23(17-7-8-17)31-25(27-22)18-5-3-2-4-6-18/h2-6,9-12,17,19H,7-8,13-16H2,1H3,(H,26,29).
What are the key properties of 5-cyclopropyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-phenyl-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 86881894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).