(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide

C28H32N2O5 — CID 60618186

About (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide

(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide (PubChem CID 60618186) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide
• PubChem CID: 60618186
• Molecular Formula: C28H32N2O5
• Molecular Weight: 476.57 g/mol
• Exact Mass: 476.23
• IUPAC Name: (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide
• SMILES: COc1ccc(C2(NC(=O)/C=C/c3ccc(OCc4c(C)noc4C)c(OC)c3)CCCC2)cc1
• InChI: InChI=1S/C28H32N2O5/c1-19-24(20(2)35-30-19)18-34-25-13-7-21(17-26(25)33-4)8-14-27(31)29-28(15-5-6-16-28)22-9-11-23(32-3)12-10-22/h7-14,17H,5-6,15-16,18H2,1-4H3,(H,29,31)/b14-8+
• InChIKey: WCQHFXTVIGQCOM-RIYZIHGNSA-N
• XLogP: 5.49
• TPSA: 82.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.57
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide?

The IUPAC name of (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide (CID 60618186) is (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide.

What is the SMILES notation for (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide?

The canonical SMILES for (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide is COc1ccc(C2(NC(=O)/C=C/c3ccc(OCc4c(C)noc4C)c(OC)c3)CCCC2)cc1.

What is the InChIKey of (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide?

The InChIKey is WCQHFXTVIGQCOM-RIYZIHGNSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-19-24(20(2)35-30-19)18-34-25-13-7-21(17-26(25)33-4)8-14-27(31)29-28(15-5-6-16-28)22-9-11-23(32-3)12-10-22/h7-14,17H,5-6,15-16,18H2,1-4H3,(H,29,31)/b14-8+.

What are the key properties of (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide?

(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide has a molecular weight of 476.57 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide is sourced from PubChem (CID 60618186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).