4-(1,3-benzoxazol-2-yl)-3-methoxy-N-methyl-N-[3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]benzamide

C25H25N3O4 — CID 123984988

About 4-(1,3-benzoxazol-2-yl)-3-methoxy-N-methyl-N-[3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]benzamide

4-(1,3-benzoxazol-2-yl)-3-methoxy-N-methyl-N-[3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]benzamide (PubChem CID 123984988) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-3-methoxy-N-methyl-N-[3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]benzamide.

Molecular Properties

• Compound Name: 4-(1,3-benzoxazol-2-yl)-3-methoxy-N-methyl-N-[3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]benzamide
• PubChem CID: 123984988
• Molecular Formula: C25H25N3O4
• Molecular Weight: 431.49 g/mol
• Exact Mass: 431.18
• IUPAC Name: 4-(1,3-benzoxazol-2-yl)-3-methoxy-N-methyl-N-[3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]benzamide
• SMILES: COc1cc(C(=O)N(C)C2CCC(c3ncc(C)o3)C2)ccc1-c1nc2ccccc2o1
• InChI: InChI=1S/C25H25N3O4/c1-15-14-26-23(31-15)16-8-10-18(12-16)28(2)25(29)17-9-11-19(22(13-17)30-3)24-27-20-6-4-5-7-21(20)32-24/h4-7,9,11,13-14,16,18H,8,10,12H2,1-3H3
• InChIKey: UKPIJZGBBLWHTL-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 81.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.49
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(1,3-benzoxazol-2-yl)-3-methoxy-N-methyl-N-[3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]benzamide (CID 123984988) is 4-(1,3-benzoxazol-2-yl)-3-methoxy-N-methyl-N-[3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]benzamide.

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

The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-3-methoxy-N-methyl-N-[3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]benzamide is COc1cc(C(=O)N(C)C2CCC(c3ncc(C)o3)C2)ccc1-c1nc2ccccc2o1.

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

The InChIKey is UKPIJZGBBLWHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-15-14-26-23(31-15)16-8-10-18(12-16)28(2)25(29)17-9-11-19(22(13-17)30-3)24-27-20-6-4-5-7-21(20)32-24/h4-7,9,11,13-14,16,18H,8,10,12H2,1-3H3.

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

4-(1,3-benzoxazol-2-yl)-3-methoxy-N-methyl-N-[3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]benzamide has a molecular weight of 431.49 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,3-benzoxazol-2-yl)-3-methoxy-N-methyl-N-[3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]benzamide is sourced from PubChem (CID 123984988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).