N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C26H28N2O4 — CID 60578167

About N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 60578167) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
• PubChem CID: 60578167
• Molecular Formula: C26H28N2O4
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.20
• IUPAC Name: N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
• SMILES: O=C(CCc1ncc(-c2ccccc2)o1)NCC1(c2ccc3c(c2)OCO3)CCCCC1
• InChI: InChI=1S/C26H28N2O4/c29-24(11-12-25-27-16-23(32-25)19-7-3-1-4-8-19)28-17-26(13-5-2-6-14-26)20-9-10-21-22(15-20)31-18-30-21/h1,3-4,7-10,15-16H,2,5-6,11-14,17-18H2,(H,28,29)
• InChIKey: QNJYVXGCJBEVMM-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?

The IUPAC name of N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 60578167) is N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

What is the SMILES notation for N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?

The canonical SMILES for N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is O=C(CCc1ncc(-c2ccccc2)o1)NCC1(c2ccc3c(c2)OCO3)CCCCC1.

What is the InChIKey of N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?

The InChIKey is QNJYVXGCJBEVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c29-24(11-12-25-27-16-23(32-25)19-7-3-1-4-8-19)28-17-26(13-5-2-6-14-26)20-9-10-21-22(15-20)31-18-30-21/h1,3-4,7-10,15-16H,2,5-6,11-14,17-18H2,(H,28,29).

What are the key properties of N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?

N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 432.52 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 60578167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).