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

C21H18N4O2S — CID 134046683

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

N-[phenyl(pyridin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 134046683) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[phenyl(pyridin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[phenyl(pyridin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
• PubChem CID: 134046683
• Molecular Formula: C21H18N4O2S
• Molecular Weight: 390.47 g/mol
• Exact Mass: 390.12
• IUPAC Name: N-[phenyl(pyridin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
• SMILES: O=C(CCc1nnc(-c2ccsc2)o1)NC(c1ccccc1)c1ccccn1
• InChI: InChI=1S/C21H18N4O2S/c26-18(9-10-19-24-25-21(27-19)16-11-13-28-14-16)23-20(15-6-2-1-3-7-15)17-8-4-5-12-22-17/h1-8,11-14,20H,9-10H2,(H,23,26)
• InChIKey: PJGDIEBEKVMANP-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.47
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[phenyl(pyridin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 134046683) is N-[phenyl(pyridin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

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

The canonical SMILES for N-[phenyl(pyridin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(-c2ccsc2)o1)NC(c1ccccc1)c1ccccn1.

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

The InChIKey is PJGDIEBEKVMANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c26-18(9-10-19-24-25-21(27-19)16-11-13-28-14-16)23-20(15-6-2-1-3-7-15)17-8-4-5-12-22-17/h1-8,11-14,20H,9-10H2,(H,23,26).

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

N-[phenyl(pyridin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 390.47 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[phenyl(pyridin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 134046683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).