N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C27H30N2O5 — CID 46414762

About N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 46414762) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
• PubChem CID: 46414762
• Molecular Formula: C27H30N2O5
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.22
• IUPAC Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
• SMILES: Cc1noc(C)c1COc1cccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1
• InChI: InChI=1S/C27H30N2O5/c1-18-23(19(2)34-29-18)16-33-22-7-5-6-20(14-22)26(30)28-17-27(10-3-4-11-27)21-8-9-24-25(15-21)32-13-12-31-24/h5-9,14-15H,3-4,10-13,16-17H2,1-2H3,(H,28,30)
• InChIKey: NJXCENHQAOHFFQ-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 82.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?

The IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 46414762) is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

What is the SMILES notation for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?

The canonical SMILES for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1cccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c1.

What is the InChIKey of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?

The InChIKey is NJXCENHQAOHFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-18-23(19(2)34-29-18)16-33-22-7-5-6-20(14-22)26(30)28-17-27(10-3-4-11-27)21-8-9-24-25(15-21)32-13-12-31-24/h5-9,14-15H,3-4,10-13,16-17H2,1-2H3,(H,28,30).

What are the key properties of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 462.55 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 46414762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).