3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(1,4-dioxan-2-ylmethyl)propanamide

C20H24ClN3O4 — CID 45210119

About 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(1,4-dioxan-2-ylmethyl)propanamide

3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(1,4-dioxan-2-ylmethyl)propanamide (PubChem CID 45210119) has the molecular formula C20H24ClN3O4 and a molecular weight of 405.88 g/mol. Its IUPAC name is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(1,4-dioxan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(1,4-dioxan-2-ylmethyl)propanamide
• PubChem CID: 45210119
• Molecular Formula: C20H24ClN3O4
• Molecular Weight: 405.88 g/mol
• Exact Mass: 405.15
• IUPAC Name: 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(1,4-dioxan-2-ylmethyl)propanamide
• SMILES: O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCC1COCCO1
• InChI: InChI=1S/C20H24ClN3O4/c21-15-4-2-14(3-5-15)20(8-1-9-20)19-24-23-18(28-19)7-6-17(25)22-12-16-13-26-10-11-27-16/h2-5,16H,1,6-13H2,(H,22,25)
• InChIKey: WGRVCBWNYNPPCV-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 86.48 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	405.88
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(1,4-dioxan-2-ylmethyl)propanamide?

The IUPAC name of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(1,4-dioxan-2-ylmethyl)propanamide (CID 45210119) is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(1,4-dioxan-2-ylmethyl)propanamide.

What is the SMILES notation for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(1,4-dioxan-2-ylmethyl)propanamide?

The canonical SMILES for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(1,4-dioxan-2-ylmethyl)propanamide is O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCC1COCCO1.

What is the InChIKey of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(1,4-dioxan-2-ylmethyl)propanamide?

The InChIKey is WGRVCBWNYNPPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4/c21-15-4-2-14(3-5-15)20(8-1-9-20)19-24-23-18(28-19)7-6-17(25)22-12-16-13-26-10-11-27-16/h2-5,16H,1,6-13H2,(H,22,25).

What are the key properties of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(1,4-dioxan-2-ylmethyl)propanamide?

3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(1,4-dioxan-2-ylmethyl)propanamide has a molecular weight of 405.88 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(1,4-dioxan-2-ylmethyl)propanamide is sourced from PubChem (CID 45210119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).