N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide

C27H24N2O4 — CID 24595469

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 24595469) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
• PubChem CID: 24595469
• Molecular Formula: C27H24N2O4
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.17
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
• SMILES: O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCC1COc2ccccc2O1
• InChI: InChI=1S/C27H24N2O4/c30-24(28-17-21-18-31-22-13-7-8-14-23(22)32-21)15-16-25-29-26(19-9-3-1-4-10-19)27(33-25)20-11-5-2-6-12-20/h1-14,21H,15-18H2,(H,28,30)
• InChIKey: VTNGIGBWQDWIKL-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide (CID 24595469) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCC1COc2ccccc2O1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?

The InChIKey is VTNGIGBWQDWIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c30-24(28-17-21-18-31-22-13-7-8-14-23(22)32-21)15-16-25-29-26(19-9-3-1-4-10-19)27(33-25)20-11-5-2-6-12-20/h1-14,21H,15-18H2,(H,28,30).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide?

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 440.50 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 24595469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).