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

C23H23Cl2N3O2 — CID 23431810

IUPAC4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride
SMILESCc1ccccc1OCCCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C23H22ClN3O2.ClH/c1-16-6-3-4-7-20(16)28-15-5-8-21-22(18-9-11-19(24)12-10-18)26-23(29-21)27-14-13-25-17(27)2;/h3-4,6-7,9-14H,5,8,15H2,1-2H3;1H
InChIKeyLOPWZERITACSKF-UHFFFAOYSA-N
MW444.36 g/mol
LogP6.23
Rot. Bonds7

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

4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride (PubChem CID 23431810) has the molecular formula C23H23Cl2N3O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride
PubChem CID23431810
Molecular FormulaC23H23Cl2N3O2
Molecular Weight444.36 g/mol
Exact Mass443.12
IUPAC Name4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride
SMILESCc1ccccc1OCCCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C23H22ClN3O2.ClH/c1-16-6-3-4-7-20(16)28-15-5-8-21-22(18-9-11-19(24)12-10-18)26-23(29-21)27-14-13-25-17(27)2;/h3-4,6-7,9-14H,5,8,15H2,1-2H3;1H
InChIKeyLOPWZERITACSKF-UHFFFAOYSA-N
XLogP6.23
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.36
LogP ≤ 56.23
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-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride (CID 23431810) is 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride is Cc1ccccc1OCCCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride?
The InChIKey is LOPWZERITACSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2.ClH/c1-16-6-3-4-7-20(16)28-15-5-8-21-22(18-9-11-19(24)12-10-18)26-23(29-21)27-14-13-25-17(27)2;/h3-4,6-7,9-14H,5,8,15H2,1-2H3;1H.
What are the key properties of 4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride?
4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride has a molecular weight of 444.36 g/mol, XLogP of 6.23, 7 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-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride is sourced from PubChem (CID 23431810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).