4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole

C24H24ClN3O2 — CID 10971874

IUPAC4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole
SMILESCc1ccccc1OCCCCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN3O2/c1-17-7-3-4-8-21(17)29-16-6-5-9-22-23(19-10-12-20(25)13-11-19)27-24(30-22)28-15-14-26-18(28)2/h3-4,7-8,10-15H,5-6,9,16H2,1-2H3
InChIKeyXRNCNYFWKSCPMZ-UHFFFAOYSA-N
MW421.93 g/mol
LogP6.20
Rot. Bonds8

About 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole

4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole (PubChem CID 10971874) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole
PubChem CID10971874
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole
SMILESCc1ccccc1OCCCCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN3O2/c1-17-7-3-4-8-21(17)29-16-6-5-9-22-23(19-10-12-20(25)13-11-19)27-24(30-22)28-15-14-26-18(28)2/h3-4,7-8,10-15H,5-6,9,16H2,1-2H3
InChIKeyXRNCNYFWKSCPMZ-UHFFFAOYSA-N
XLogP6.20
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole (CID 10971874) is 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole is Cc1ccccc1OCCCCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole?
The InChIKey is XRNCNYFWKSCPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-17-7-3-4-8-21(17)29-16-6-5-9-22-23(19-10-12-20(25)13-11-19)27-24(30-22)28-15-14-26-18(28)2/h3-4,7-8,10-15H,5-6,9,16H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole?
4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole has a molecular weight of 421.93 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[4-(2-methylphenoxy)butyl]-1,3-oxazole is sourced from PubChem (CID 10971874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).