1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone

C23H24Cl2F2N4O3 — CID 170756043

About 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone

1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone (PubChem CID 170756043) has the molecular formula C23H24Cl2F2N4O3 and a molecular weight of 513.37 g/mol. Its IUPAC name is 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
• PubChem CID: 170756043
• Molecular Formula: C23H24Cl2F2N4O3
• Molecular Weight: 513.37 g/mol
• Exact Mass: 512.12
• IUPAC Name: 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone
• SMILES: CC(=O)N1CC(c2nnc(C(F)(F)c3ccc(Cl)c(Cl)c3)o2)C2(C1)CN(C(=O)[C@H]1CC1(C)C)C2
• InChI: InChI=1S/C23H24Cl2F2N4O3/c1-12(32)30-8-15(22(9-30)10-31(11-22)19(33)14-7-21(14,2)3)18-28-29-20(34-18)23(26,27)13-4-5-16(24)17(25)6-13/h4-6,14-15H,7-11H2,1-3H3/t14-,15?/m1/s1
• InChIKey: IINOPHCTTVHSSV-GICMACPYSA-N
• XLogP: 4.34
• TPSA: 79.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.37
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?

The IUPAC name of 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone (CID 170756043) is 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone.

What is the SMILES notation for 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?

The canonical SMILES for 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone is CC(=O)N1CC(c2nnc(C(F)(F)c3ccc(Cl)c(Cl)c3)o2)C2(C1)CN(C(=O)[C@H]1CC1(C)C)C2.

What is the InChIKey of 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?

The InChIKey is IINOPHCTTVHSSV-GICMACPYSA-N. The full InChI is InChI=1S/C23H24Cl2F2N4O3/c1-12(32)30-8-15(22(9-30)10-31(11-22)19(33)14-7-21(14,2)3)18-28-29-20(34-18)23(26,27)13-4-5-16(24)17(25)6-13/h4-6,14-15H,7-11H2,1-3H3/t14-,15?/m1/s1.

What are the key properties of 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone?

1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone has a molecular weight of 513.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]ethanone is sourced from PubChem (CID 170756043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).