[4-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]phenyl] formate

C30H26Cl3NO4 — CID 153422961

About [4-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]phenyl] formate

[4-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]phenyl] formate (PubChem CID 153422961) has the molecular formula C30H26Cl3NO4 and a molecular weight of 570.90 g/mol. Its IUPAC name is [4-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]phenyl] formate.

Molecular Properties

• Compound Name: [4-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]phenyl] formate
• PubChem CID: 153422961
• Molecular Formula: C30H26Cl3NO4
• Molecular Weight: 570.90 g/mol
• Exact Mass: 569.09
• IUPAC Name: [4-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]phenyl] formate
• SMILES: CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C2CC2(C)c2ccc(OC=O)cc2)c(Cl)c1
• InChI: InChI=1S/C30H26Cl3NO4/c1-17(2)29-22(28(34-38-29)27-24(31)5-4-6-25(27)32)15-36-20-11-12-21(26(33)13-20)23-14-30(23,3)18-7-9-19(10-8-18)37-16-35/h4-13,16-17,23H,14-15H2,1-3H3
• InChIKey: NQPPBAJQTHKANW-UHFFFAOYSA-N
• XLogP: 8.98
• TPSA: 61.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.90
LogP ≤ 5	8.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]phenyl] formate?

The IUPAC name of [4-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]phenyl] formate (CID 153422961) is [4-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]phenyl] formate.

What is the SMILES notation for [4-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]phenyl] formate?

The canonical SMILES for [4-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]phenyl] formate is CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C2CC2(C)c2ccc(OC=O)cc2)c(Cl)c1.

What is the InChIKey of [4-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]phenyl] formate?

The InChIKey is NQPPBAJQTHKANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl3NO4/c1-17(2)29-22(28(34-38-29)27-24(31)5-4-6-25(27)32)15-36-20-11-12-21(26(33)13-20)23-14-30(23,3)18-7-9-19(10-8-18)37-16-35/h4-13,16-17,23H,14-15H2,1-3H3.

What are the key properties of [4-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]phenyl] formate?

[4-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]phenyl] formate has a molecular weight of 570.90 g/mol, XLogP of 8.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]phenyl] formate is sourced from PubChem (CID 153422961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).