N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide

C20H17N5O2S — CID 110408611

About N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide

N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110408611) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

• Compound Name: N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
• PubChem CID: 110408611
• Molecular Formula: C20H17N5O2S
• Molecular Weight: 391.46 g/mol
• Exact Mass: 391.11
• IUPAC Name: N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
• SMILES: O=C(CCc1csc(-c2cccnc2)n1)NCc1nnc(-c2ccccc2)o1
• InChI: InChI=1S/C20H17N5O2S/c26-17(9-8-16-13-28-20(23-16)15-7-4-10-21-11-15)22-12-18-24-25-19(27-18)14-5-2-1-3-6-14/h1-7,10-11,13H,8-9,12H2,(H,22,26)
• InChIKey: CRVATTIKRAQWDD-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 93.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.46
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?

The IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide (CID 110408611) is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide.

What is the SMILES notation for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?

The canonical SMILES for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide is O=C(CCc1csc(-c2cccnc2)n1)NCc1nnc(-c2ccccc2)o1.

What is the InChIKey of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?

The InChIKey is CRVATTIKRAQWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c26-17(9-8-16-13-28-20(23-16)15-7-4-10-21-11-15)22-12-18-24-25-19(27-18)14-5-2-1-3-6-14/h1-7,10-11,13H,8-9,12H2,(H,22,26).

What are the key properties of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?

N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 391.46 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110408611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).