3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

C21H21N5O3 — CID 55762930

About 3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 55762930) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
• PubChem CID: 55762930
• Molecular Formula: C21H21N5O3
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.16
• IUPAC Name: 3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
• SMILES: Cc1noc(C(C)C)c1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1
• InChI: InChI=1S/C21H21N5O3/c1-13(2)19-18(14(3)24-29-19)20(27)22-16-8-6-7-15(11-16)12-26-21(28)25-10-5-4-9-17(25)23-26/h4-11,13H,12H2,1-3H3,(H,22,27)
• InChIKey: IXVQBMLRIDFIOA-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 94.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?

The IUPAC name of 3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 55762930) is 3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1.

What is the InChIKey of 3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?

The InChIKey is IXVQBMLRIDFIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-13(2)19-18(14(3)24-29-19)20(27)22-16-8-6-7-15(11-16)12-26-21(28)25-10-5-4-9-17(25)23-26/h4-11,13H,12H2,1-3H3,(H,22,27).

What are the key properties of 3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?

3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 55762930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).