N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide

C19H16N4O3S — CID 110608052

About N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide

N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110608052) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

• Compound Name: N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
• PubChem CID: 110608052
• Molecular Formula: C19H16N4O3S
• Molecular Weight: 380.43 g/mol
• Exact Mass: 380.09
• IUPAC Name: N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
• SMILES: Cn1c(=O)oc2ccc(NC(=O)CCc3csc(-c4ccncc4)n3)cc21
• InChI: InChI=1S/C19H16N4O3S/c1-23-15-10-13(2-4-16(15)26-19(23)25)21-17(24)5-3-14-11-27-18(22-14)12-6-8-20-9-7-12/h2,4,6-11H,3,5H2,1H3,(H,21,24)
• InChIKey: KIXFFHJKCGGFGH-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 90.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.43
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?

The IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (CID 110608052) is N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.

What is the SMILES notation for N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?

The canonical SMILES for N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is Cn1c(=O)oc2ccc(NC(=O)CCc3csc(-c4ccncc4)n3)cc21.

What is the InChIKey of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?

The InChIKey is KIXFFHJKCGGFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-23-15-10-13(2-4-16(15)26-19(23)25)21-17(24)5-3-14-11-27-18(22-14)12-6-8-20-9-7-12/h2,4,6-11H,3,5H2,1H3,(H,21,24).

What are the key properties of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?

N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 380.43 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 N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110608052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).