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

C25H26ClN3O2 — CID 11729789

IUPAC4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[5-(2-methylphenoxy)pentyl]-1,3-oxazole
SMILESCc1ccccc1OCCCCCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN3O2/c1-18-8-5-6-9-22(18)30-17-7-3-4-10-23-24(20-11-13-21(26)14-12-20)28-25(31-23)29-16-15-27-19(29)2/h5-6,8-9,11-16H,3-4,7,10,17H2,1-2H3
InChIKeyBHUUSLBHEMKJEW-UHFFFAOYSA-N
MW435.96 g/mol
LogP6.59
Rot. Bonds9

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

4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[5-(2-methylphenoxy)pentyl]-1,3-oxazole (PubChem CID 11729789) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[5-(2-methylphenoxy)pentyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[5-(2-methylphenoxy)pentyl]-1,3-oxazole
PubChem CID11729789
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[5-(2-methylphenoxy)pentyl]-1,3-oxazole
SMILESCc1ccccc1OCCCCCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN3O2/c1-18-8-5-6-9-22(18)30-17-7-3-4-10-23-24(20-11-13-21(26)14-12-20)28-25(31-23)29-16-15-27-19(29)2/h5-6,8-9,11-16H,3-4,7,10,17H2,1-2H3
InChIKeyBHUUSLBHEMKJEW-UHFFFAOYSA-N
XLogP6.59
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 56.59
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-[5-(2-methylphenoxy)pentyl]-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[5-(2-methylphenoxy)pentyl]-1,3-oxazole (CID 11729789) is 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[5-(2-methylphenoxy)pentyl]-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[5-(2-methylphenoxy)pentyl]-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[5-(2-methylphenoxy)pentyl]-1,3-oxazole is Cc1ccccc1OCCCCCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[5-(2-methylphenoxy)pentyl]-1,3-oxazole?
The InChIKey is BHUUSLBHEMKJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-18-8-5-6-9-22(18)30-17-7-3-4-10-23-24(20-11-13-21(26)14-12-20)28-25(31-23)29-16-15-27-19(29)2/h5-6,8-9,11-16H,3-4,7,10,17H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[5-(2-methylphenoxy)pentyl]-1,3-oxazole?
4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[5-(2-methylphenoxy)pentyl]-1,3-oxazole has a molecular weight of 435.96 g/mol, XLogP of 6.59, 9 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-[5-(2-methylphenoxy)pentyl]-1,3-oxazole is sourced from PubChem (CID 11729789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).