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

C26H27N3O5 — CID 32965222

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

(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (PubChem CID 32965222) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
• PubChem CID: 32965222
• Molecular Formula: C26H27N3O5
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.20
• IUPAC Name: (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
• SMILES: COc1cc(/C=C/C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1OCc1c(C)noc1C
• InChI: InChI=1S/C26H27N3O5/c1-17-22(18(2)34-28-17)16-33-23-12-6-19(15-24(23)32-3)7-13-25(30)27-20-8-10-21(11-9-20)29-14-4-5-26(29)31/h6-13,15H,4-5,14,16H2,1-3H3,(H,27,30)/b13-7+
• InChIKey: OAXDXHXEYHWBBK-NTUHNPAUSA-N
• XLogP: 4.66
• TPSA: 93.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	4.66
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-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?

The IUPAC name of (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (CID 32965222) is (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.

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

The canonical SMILES for (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1OCc1c(C)noc1C.

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

The InChIKey is OAXDXHXEYHWBBK-NTUHNPAUSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-17-22(18(2)34-28-17)16-33-23-12-6-19(15-24(23)32-3)7-13-25(30)27-20-8-10-21(11-9-20)29-14-4-5-26(29)31/h6-13,15H,4-5,14,16H2,1-3H3,(H,27,30)/b13-7+.

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

(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide has a molecular weight of 461.52 g/mol, XLogP of 4.66, 8 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-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 32965222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).