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

C17H13N5O3S — CID 55810195

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

3-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 55810195) has the molecular formula C17H13N5O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide
• PubChem CID: 55810195
• Molecular Formula: C17H13N5O3S
• Molecular Weight: 367.39 g/mol
• Exact Mass: 367.07
• IUPAC Name: 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide
• SMILES: O=C(CCn1c(=O)oc2ccccc21)Nc1nnc(-c2ccccn2)s1
• InChI: InChI=1S/C17H13N5O3S/c23-14(8-10-22-12-6-1-2-7-13(12)25-17(22)24)19-16-21-20-15(26-16)11-5-3-4-9-18-11/h1-7,9H,8,10H2,(H,19,21,23)
• InChIKey: PUSLESVUCGMCLR-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 102.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.39
LogP ≤ 5	2.54
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-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide?

The IUPAC name of 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 55810195) is 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide.

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

The canonical SMILES for 3-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide is O=C(CCn1c(=O)oc2ccccc21)Nc1nnc(-c2ccccn2)s1.

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

The InChIKey is PUSLESVUCGMCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3S/c23-14(8-10-22-12-6-1-2-7-13(12)25-17(22)24)19-16-21-20-15(26-16)11-5-3-4-9-18-11/h1-7,9H,8,10H2,(H,19,21,23).

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

3-(2-oxo-1,3-benzoxazol-3-yl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 367.39 g/mol, XLogP of 2.54, 5 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-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 55810195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).