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

C22H20Cl2N2O4 — CID 35539849

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

(E)-N-(2,4-dichlorophenyl)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enamide (PubChem CID 35539849) has the molecular formula C22H20Cl2N2O4 and a molecular weight of 447.32 g/mol. Its IUPAC name is (E)-N-(2,4-dichlorophenyl)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-(2,4-dichlorophenyl)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enamide
• PubChem CID: 35539849
• Molecular Formula: C22H20Cl2N2O4
• Molecular Weight: 447.32 g/mol
• Exact Mass: 446.08
• IUPAC Name: (E)-N-(2,4-dichlorophenyl)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enamide
• SMILES: COc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1c(C)noc1C
• InChI: InChI=1S/C22H20Cl2N2O4/c1-13-17(14(2)30-26-13)12-29-20-8-4-15(10-21(20)28-3)5-9-22(27)25-19-7-6-16(23)11-18(19)24/h4-11H,12H2,1-3H3,(H,25,27)/b9-5+
• InChIKey: GNAVZHZZESLKSU-WEVVVXLNSA-N
• XLogP: 5.84
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.32
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (E)-N-(2,4-dichlorophenyl)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enamide (CID 35539849) is (E)-N-(2,4-dichlorophenyl)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enamide.

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

The canonical SMILES for (E)-N-(2,4-dichlorophenyl)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1c(C)noc1C.

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

The InChIKey is GNAVZHZZESLKSU-WEVVVXLNSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4/c1-13-17(14(2)30-26-13)12-29-20-8-4-15(10-21(20)28-3)5-9-22(27)25-19-7-6-16(23)11-18(19)24/h4-11H,12H2,1-3H3,(H,25,27)/b9-5+.

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

(E)-N-(2,4-dichlorophenyl)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enamide has a molecular weight of 447.32 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-(2,4-dichlorophenyl)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 35539849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).