3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide

C23H19N5O4 — CID 55697961

About 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide

3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide (PubChem CID 55697961) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide
• PubChem CID: 55697961
• Molecular Formula: C23H19N5O4
• Molecular Weight: 429.44 g/mol
• Exact Mass: 429.14
• IUPAC Name: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide
• SMILES: O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(Cn2nc3ccccn3c2=O)c1
• InChI: InChI=1S/C23H19N5O4/c29-21(11-13-26-18-8-1-2-9-19(18)32-23(26)31)24-17-7-5-6-16(14-17)15-28-22(30)27-12-4-3-10-20(27)25-28/h1-10,12,14H,11,13,15H2,(H,24,29)
• InChIKey: JWLBFHGUTBEAGV-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 103.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.44
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide?

The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide (CID 55697961) is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide.

What is the SMILES notation for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide?

The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide is O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(Cn2nc3ccccn3c2=O)c1.

What is the InChIKey of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide?

The InChIKey is JWLBFHGUTBEAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c29-21(11-13-26-18-8-1-2-9-19(18)32-23(26)31)24-17-7-5-6-16(14-17)15-28-22(30)27-12-4-3-10-20(27)25-28/h1-10,12,14H,11,13,15H2,(H,24,29).

What are the key properties of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide?

3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide has a molecular weight of 429.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 55697961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).