3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide

C23H27N3O2 — CID 110627823

About 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide

3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide (PubChem CID 110627823) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
• PubChem CID: 110627823
• Molecular Formula: C23H27N3O2
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.21
• IUPAC Name: 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
• SMILES: Cc1nnc(C(CC(=O)NCCc2ccc(C(C)C)cc2)c2ccccc2)o1
• InChI: InChI=1S/C23H27N3O2/c1-16(2)19-11-9-18(10-12-19)13-14-24-22(27)15-21(20-7-5-4-6-8-20)23-26-25-17(3)28-23/h4-12,16,21H,13-15H2,1-3H3,(H,24,27)
• InChIKey: GPQMCEYNAFNXNI-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide (CID 110627823) is 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide.

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

The canonical SMILES for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide is Cc1nnc(C(CC(=O)NCCc2ccc(C(C)C)cc2)c2ccccc2)o1.

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

The InChIKey is GPQMCEYNAFNXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16(2)19-11-9-18(10-12-19)13-14-24-22(27)15-21(20-7-5-4-6-8-20)23-26-25-17(3)28-23/h4-12,16,21H,13-15H2,1-3H3,(H,24,27).

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

3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide has a molecular weight of 377.49 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 110627823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).