N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide

C21H20N4O4 — CID 131910648

About N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide

N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide (PubChem CID 131910648) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide.

Molecular Properties

• Compound Name: N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide
• PubChem CID: 131910648
• Molecular Formula: C21H20N4O4
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.15
• IUPAC Name: N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide
• SMILES: Cc1ccc2oc(=O)n(CCC(=O)N(C)Cc3cc(-c4cccnc4)no3)c2c1
• InChI: InChI=1S/C21H20N4O4/c1-14-5-6-19-18(10-14)25(21(27)28-19)9-7-20(26)24(2)13-16-11-17(23-29-16)15-4-3-8-22-12-15/h3-6,8,10-12H,7,9,13H2,1-2H3
• InChIKey: CRXMHBLOMGVHKN-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 94.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide?

The IUPAC name of N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide (CID 131910648) is N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide.

What is the SMILES notation for N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide?

The canonical SMILES for N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide is Cc1ccc2oc(=O)n(CCC(=O)N(C)Cc3cc(-c4cccnc4)no3)c2c1.

What is the InChIKey of N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide?

The InChIKey is CRXMHBLOMGVHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-14-5-6-19-18(10-14)25(21(27)28-19)9-7-20(26)24(2)13-16-11-17(23-29-16)15-4-3-8-22-12-15/h3-6,8,10-12H,7,9,13H2,1-2H3.

What are the key properties of N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide?

N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide has a molecular weight of 392.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide is sourced from PubChem (CID 131910648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).