[5-[5-[(4-chloro-3-methylphenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-(oxolan-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone

C24H24ClF2N5O3S — CID 170755798

About [5-[5-[(4-chloro-3-methylphenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-(oxolan-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone

[5-[5-[(4-chloro-3-methylphenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-(oxolan-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 170755798) has the molecular formula C24H24ClF2N5O3S and a molecular weight of 536.00 g/mol. Its IUPAC name is [5-[5-[(4-chloro-3-methylphenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-(oxolan-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

• Compound Name: [5-[5-[(4-chloro-3-methylphenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-(oxolan-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone
• PubChem CID: 170755798
• Molecular Formula: C24H24ClF2N5O3S
• Molecular Weight: 536.00 g/mol
• Exact Mass: 535.13
• IUPAC Name: [5-[5-[(4-chloro-3-methylphenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-(oxolan-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone
• SMILES: Cc1cc(C(F)(F)c2nnc(C3CN(C(=O)c4cncs4)CC34CN(C3CCOC3)C4)o2)ccc1Cl
• InChI: InChI=1S/C24H24ClF2N5O3S/c1-14-6-15(2-3-18(14)25)24(26,27)22-30-29-20(35-22)17-8-31(21(33)19-7-28-13-36-19)10-23(17)11-32(12-23)16-4-5-34-9-16/h2-3,6-7,13,16-17H,4-5,8-12H2,1H3
• InChIKey: WCVOCPXSIDGSQP-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 84.59 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.00
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-[5-[(4-chloro-3-methylphenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-(oxolan-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?

The IUPAC name of [5-[5-[(4-chloro-3-methylphenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-(oxolan-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone (CID 170755798) is [5-[5-[(4-chloro-3-methylphenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-(oxolan-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone.

What is the SMILES notation for [5-[5-[(4-chloro-3-methylphenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-(oxolan-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?

The canonical SMILES for [5-[5-[(4-chloro-3-methylphenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-(oxolan-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone is Cc1cc(C(F)(F)c2nnc(C3CN(C(=O)c4cncs4)CC34CN(C3CCOC3)C4)o2)ccc1Cl.

What is the InChIKey of [5-[5-[(4-chloro-3-methylphenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-(oxolan-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?

The InChIKey is WCVOCPXSIDGSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N5O3S/c1-14-6-15(2-3-18(14)25)24(26,27)22-30-29-20(35-22)17-8-31(21(33)19-7-28-13-36-19)10-23(17)11-32(12-23)16-4-5-34-9-16/h2-3,6-7,13,16-17H,4-5,8-12H2,1H3.

What are the key properties of [5-[5-[(4-chloro-3-methylphenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-(oxolan-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?

[5-[5-[(4-chloro-3-methylphenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-(oxolan-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 536.00 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[5-[(4-chloro-3-methylphenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2-(oxolan-3-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 170755798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).