4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole

C28H24ClN3O2 — CID 18174764

IUPAC4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole
SMILESCc1ccccc1OCCCc1oc(-n2ccnc2-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C28H24ClN3O2/c1-20-8-5-6-11-24(20)33-19-7-12-25-26(21-13-15-23(29)16-14-21)31-28(34-25)32-18-17-30-27(32)22-9-3-2-4-10-22/h2-6,8-11,13-18H,7,12,19H2,1H3
InChIKeyCTWAZYPCXVOZDA-UHFFFAOYSA-N
MW469.97 g/mol
LogP7.17
Rot. Bonds8

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

4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole (PubChem CID 18174764) has the molecular formula C28H24ClN3O2 and a molecular weight of 469.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole
PubChem CID18174764
Molecular FormulaC28H24ClN3O2
Molecular Weight469.97 g/mol
Exact Mass469.16
IUPAC Name4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole
SMILESCc1ccccc1OCCCc1oc(-n2ccnc2-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C28H24ClN3O2/c1-20-8-5-6-11-24(20)33-19-7-12-25-26(21-13-15-23(29)16-14-21)31-28(34-25)32-18-17-30-27(32)22-9-3-2-4-10-22/h2-6,8-11,13-18H,7,12,19H2,1H3
InChIKeyCTWAZYPCXVOZDA-UHFFFAOYSA-N
XLogP7.17
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.97
LogP ≤ 57.17
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)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole (CID 18174764) is 4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole is Cc1ccccc1OCCCc1oc(-n2ccnc2-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole?
The InChIKey is CTWAZYPCXVOZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O2/c1-20-8-5-6-11-24(20)33-19-7-12-25-26(21-13-15-23(29)16-14-21)31-28(34-25)32-18-17-30-27(32)22-9-3-2-4-10-22/h2-6,8-11,13-18H,7,12,19H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole?
4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole has a molecular weight of 469.97 g/mol, XLogP of 7.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-[3-(2-methylphenoxy)propyl]-2-(2-phenylimidazol-1-yl)-1,3-oxazole is sourced from PubChem (CID 18174764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).