N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C23H19ClN2O4 — CID 16561188

About N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 16561188) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
• PubChem CID: 16561188
• Molecular Formula: C23H19ClN2O4
• Molecular Weight: 422.87 g/mol
• Exact Mass: 422.10
• IUPAC Name: N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
• SMILES: Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CCn2c(=O)oc3ccccc32)cc1
• InChI: InChI=1S/C23H19ClN2O4/c1-15-6-9-17(10-7-15)29-20-11-8-16(24)14-18(20)25-22(27)12-13-26-19-4-2-3-5-21(19)30-23(26)28/h2-11,14H,12-13H2,1H3,(H,25,27)
• InChIKey: GOJICVMNIWXIRL-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 73.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.87
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

The IUPAC name of N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 16561188) is N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

What is the SMILES notation for N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

The canonical SMILES for N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CCn2c(=O)oc3ccccc32)cc1.

What is the InChIKey of N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

The InChIKey is GOJICVMNIWXIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c1-15-6-9-17(10-7-15)29-20-11-8-16(24)14-18(20)25-22(27)12-13-26-19-4-2-3-5-21(19)30-23(26)28/h2-11,14H,12-13H2,1H3,(H,25,27).

What are the key properties of N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?

N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 422.87 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 16561188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).