cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone

C20H28N4O2 — CID 91921584

About cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone

cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone (PubChem CID 91921584) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
• PubChem CID: 91921584
• Molecular Formula: C20H28N4O2
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.22
• IUPAC Name: cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
• SMILES: O=C(C1CC=CCC1)N1CC(c2noc(C3CCCN3CC3CC3)n2)C1
• InChI: InChI=1S/C20H28N4O2/c25-20(15-5-2-1-3-6-15)24-12-16(13-24)18-21-19(26-22-18)17-7-4-10-23(17)11-14-8-9-14/h1-2,14-17H,3-13H2
• InChIKey: BLWFSKPQWULACN-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 62.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?

The IUPAC name of cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone (CID 91921584) is cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone.

What is the SMILES notation for cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?

The canonical SMILES for cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone is O=C(C1CC=CCC1)N1CC(c2noc(C3CCCN3CC3CC3)n2)C1.

What is the InChIKey of cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?

The InChIKey is BLWFSKPQWULACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-20(15-5-2-1-3-6-15)24-12-16(13-24)18-21-19(26-22-18)17-7-4-10-23(17)11-14-8-9-14/h1-2,14-17H,3-13H2.

What are the key properties of cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?

cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohex-3-en-1-yl-[3-[5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 91921584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).