3-cyclohexyl-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide

C21H23N3O3 — CID 2231793

About 3-cyclohexyl-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide

3-cyclohexyl-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide (PubChem CID 2231793) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-cyclohexyl-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-cyclohexyl-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide
• PubChem CID: 2231793
• Molecular Formula: C21H23N3O3
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.17
• IUPAC Name: 3-cyclohexyl-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide
• SMILES: O=C(CCC1CCCCC1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1
• InChI: InChI=1S/C21H23N3O3/c25-19(12-11-15-6-2-1-3-7-15)22-17-9-4-8-16(14-17)20-23-24-21(27-20)18-10-5-13-26-18/h4-5,8-10,13-15H,1-3,6-7,11-12H2,(H,22,25)
• InChIKey: CTLCOPNKIWAGIM-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-cyclohexyl-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide (CID 2231793) is 3-cyclohexyl-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide.

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

The canonical SMILES for 3-cyclohexyl-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide is O=C(CCC1CCCCC1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1.

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

The InChIKey is CTLCOPNKIWAGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-19(12-11-15-6-2-1-3-7-15)22-17-9-4-8-16(14-17)20-23-24-21(27-20)18-10-5-13-26-18/h4-5,8-10,13-15H,1-3,6-7,11-12H2,(H,22,25).

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

3-cyclohexyl-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide has a molecular weight of 365.43 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide is sourced from PubChem (CID 2231793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).