3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide

C26H24N4O3 — CID 55779473

About 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide

3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide (PubChem CID 55779473) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
• PubChem CID: 55779473
• Molecular Formula: C26H24N4O3
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.18
• IUPAC Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
• SMILES: CC1Oc2ccccc2N(CCC(=O)Nc2ccnn2Cc2cccc3ccccc23)C1=O
• InChI: InChI=1S/C26H24N4O3/c1-18-26(32)29(22-11-4-5-12-23(22)33-18)16-14-25(31)28-24-13-15-27-30(24)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-13,15,18H,14,16-17H2,1H3,(H,28,31)
• InChIKey: RCPWATSGJSMPJB-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?

The IUPAC name of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide (CID 55779473) is 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide.

What is the SMILES notation for 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?

The canonical SMILES for 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide is CC1Oc2ccccc2N(CCC(=O)Nc2ccnn2Cc2cccc3ccccc23)C1=O.

What is the InChIKey of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?

The InChIKey is RCPWATSGJSMPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-18-26(32)29(22-11-4-5-12-23(22)33-18)16-14-25(31)28-24-13-15-27-30(24)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-13,15,18H,14,16-17H2,1H3,(H,28,31).

What are the key properties of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide?

3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide has a molecular weight of 440.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 55779473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).