1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine

C24H22F4N4O5S — CID 91387047

About 1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine

1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine (PubChem CID 91387047) has the molecular formula C24H22F4N4O5S and a molecular weight of 554.52 g/mol. Its IUPAC name is 1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine.

Molecular Properties

• Compound Name: 1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine
• PubChem CID: 91387047
• Molecular Formula: C24H22F4N4O5S
• Molecular Weight: 554.52 g/mol
• Exact Mass: 554.12
• IUPAC Name: 1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine
• SMILES: COc1ccc(N(Cc2cncs2)N(Cc2cnco2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1OC
• InChI: InChI=1S/C24H22F4N4O5S/c1-33-19-5-3-15(7-21(19)34-2)32(12-18-10-30-14-38-18)31(11-17-9-29-13-35-17)16-4-6-20(36-23(25)26)22(8-16)37-24(27)28/h3-10,13-14,23-24H,11-12H2,1-2H3
• InChIKey: LPWCZTYUIIIENJ-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 82.32 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.52
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine?

The IUPAC name of 1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine (CID 91387047) is 1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine.

What is the SMILES notation for 1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine?

The canonical SMILES for 1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine is COc1ccc(N(Cc2cncs2)N(Cc2cnco2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1OC.

What is the InChIKey of 1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine?

The InChIKey is LPWCZTYUIIIENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N4O5S/c1-33-19-5-3-15(7-21(19)34-2)32(12-18-10-30-14-38-18)31(11-17-9-29-13-35-17)16-4-6-20(36-23(25)26)22(8-16)37-24(27)28/h3-10,13-14,23-24H,11-12H2,1-2H3.

What are the key properties of 1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine?

1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine has a molecular weight of 554.52 g/mol, XLogP of 5.98, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,4-bis(difluoromethoxy)phenyl]-2-(3,4-dimethoxyphenyl)-1-(1,3-oxazol-5-ylmethyl)-2-(1,3-thiazol-5-ylmethyl)hydrazine is sourced from PubChem (CID 91387047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).