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

C23H21ClFN3O2 — CID 18174676

IUPAC4-(4-chlorophenyl)-5-[3-(4-fluoro-2-methylphenoxy)propyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole
SMILESCc1cc(F)ccc1OCCCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClFN3O2/c1-15-14-19(25)9-10-20(15)29-13-3-4-21-22(17-5-7-18(24)8-6-17)27-23(30-21)28-12-11-26-16(28)2/h5-12,14H,3-4,13H2,1-2H3
InChIKeyWCPQPPJNARCNDN-UHFFFAOYSA-N
MW425.89 g/mol
LogP5.95
Rot. Bonds7

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

4-(4-chlorophenyl)-5-[3-(4-fluoro-2-methylphenoxy)propyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole (PubChem CID 18174676) has the molecular formula C23H21ClFN3O2 and a molecular weight of 425.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-[3-(4-fluoro-2-methylphenoxy)propyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-[3-(4-fluoro-2-methylphenoxy)propyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole
PubChem CID18174676
Molecular FormulaC23H21ClFN3O2
Molecular Weight425.89 g/mol
Exact Mass425.13
IUPAC Name4-(4-chlorophenyl)-5-[3-(4-fluoro-2-methylphenoxy)propyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole
SMILESCc1cc(F)ccc1OCCCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClFN3O2/c1-15-14-19(25)9-10-20(15)29-13-3-4-21-22(17-5-7-18(24)8-6-17)27-23(30-21)28-12-11-26-16(28)2/h5-12,14H,3-4,13H2,1-2H3
InChIKeyWCPQPPJNARCNDN-UHFFFAOYSA-N
XLogP5.95
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.89
LogP ≤ 55.95
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-(4-fluoro-2-methylphenoxy)propyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-5-[3-(4-fluoro-2-methylphenoxy)propyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole (CID 18174676) is 4-(4-chlorophenyl)-5-[3-(4-fluoro-2-methylphenoxy)propyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-[3-(4-fluoro-2-methylphenoxy)propyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-[3-(4-fluoro-2-methylphenoxy)propyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole is Cc1cc(F)ccc1OCCCc1oc(-n2ccnc2C)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-[3-(4-fluoro-2-methylphenoxy)propyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole?
The InChIKey is WCPQPPJNARCNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O2/c1-15-14-19(25)9-10-20(15)29-13-3-4-21-22(17-5-7-18(24)8-6-17)27-23(30-21)28-12-11-26-16(28)2/h5-12,14H,3-4,13H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-5-[3-(4-fluoro-2-methylphenoxy)propyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole?
4-(4-chlorophenyl)-5-[3-(4-fluoro-2-methylphenoxy)propyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole has a molecular weight of 425.89 g/mol, XLogP of 5.95, 7 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-(4-fluoro-2-methylphenoxy)propyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole is sourced from PubChem (CID 18174676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).