5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;(5R)-5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;bis(1,1-dimethylcyclopropane)

C50H54Cl4N10O6S2 — CID 170756082

About 5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;(5R)-5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;bis(1,1-dimethylcyclopropane)

5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;(5R)-5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;bis(1,1-dimethylcyclopropane) (PubChem CID 170756082) has the molecular formula C50H54Cl4N10O6S2 and a molecular weight of 1096.99 g/mol. Its IUPAC name is 5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;(5R)-5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;bis(1,1-dimethylcyclopropane).

Molecular Properties

• Compound Name: 5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;(5R)-5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;bis(1,1-dimethylcyclopropane)
• PubChem CID: 170756082
• Molecular Formula: C50H54Cl4N10O6S2
• Molecular Weight: 1096.99 g/mol
• Exact Mass: 1094.24
• IUPAC Name: 5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;(5R)-5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;bis(1,1-dimethylcyclopropane)
• SMILES: CC1(C)CC1.CC1(C)CC1.O=CN1CC2(C1)CN(C(=O)c1cncs1)CC2c1nnc(Cc2ccc(Cl)c(Cl)c2)o1.O=CN1CC2(C1)CN(C(=O)c1cncs1)C[C@@H]2c1nnc(Cc2ccc(Cl)c(Cl)c2)o1
• InChI: InChI=1S/2C20H17Cl2N5O3S.2C5H10/c2*21-14-2-1-12(3-15(14)22)4-17-24-25-18(30-17)13-6-27(19(29)16-5-23-10-31-16)9-20(13)7-26(8-20)11-28;2*1-5(2)3-4-5/h2*1-3,5,10-11,13H,4,6-9H2;2*3-4H2,1-2H3/t13-;;;/m1.../s1
• InChIKey: ISYUDROKXDKBBE-BXUUEFRQSA-N
• XLogP: 9.86
• TPSA: 184.86 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1096.99
LogP ≤ 5	9.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;(5R)-5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;bis(1,1-dimethylcyclopropane)?

The IUPAC name of 5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;(5R)-5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;bis(1,1-dimethylcyclopropane) (CID 170756082) is 5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;(5R)-5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;bis(1,1-dimethylcyclopropane).

What is the SMILES notation for 5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;(5R)-5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;bis(1,1-dimethylcyclopropane)?

The canonical SMILES for 5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;(5R)-5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;bis(1,1-dimethylcyclopropane) is CC1(C)CC1.CC1(C)CC1.O=CN1CC2(C1)CN(C(=O)c1cncs1)CC2c1nnc(Cc2ccc(Cl)c(Cl)c2)o1.O=CN1CC2(C1)CN(C(=O)c1cncs1)C[C@@H]2c1nnc(Cc2ccc(Cl)c(Cl)c2)o1.

What is the InChIKey of 5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;(5R)-5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;bis(1,1-dimethylcyclopropane)?

The InChIKey is ISYUDROKXDKBBE-BXUUEFRQSA-N. The full InChI is InChI=1S/2C20H17Cl2N5O3S.2C5H10/c2*21-14-2-1-12(3-15(14)22)4-17-24-25-18(30-17)13-6-27(19(29)16-5-23-10-31-16)9-20(13)7-26(8-20)11-28;2*1-5(2)3-4-5/h2*1-3,5,10-11,13H,4,6-9H2;2*3-4H2,1-2H3/t13-;;;/m1.../s1.

What are the key properties of 5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;(5R)-5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;bis(1,1-dimethylcyclopropane)?

5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;(5R)-5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;bis(1,1-dimethylcyclopropane) has a molecular weight of 1096.99 g/mol, XLogP of 9.86, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;(5R)-5-[5-[(3,4-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-2-carbaldehyde;bis(1,1-dimethylcyclopropane) is sourced from PubChem (CID 170756082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).