4-(4-fluorophenyl)-5-[4-(2-methoxyphenoxy)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole

C24H24FN3O3 — CID 142655445

IUPAC4-(4-fluorophenyl)-5-[4-(2-methoxyphenoxy)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole
SMILESCOc1ccccc1OCCCCc1oc(-n2ccnc2C)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O3/c1-17-26-14-15-28(17)24-27-23(18-10-12-19(25)13-11-18)22(31-24)9-5-6-16-30-21-8-4-3-7-20(21)29-2/h3-4,7-8,10-15H,5-6,9,16H2,1-2H3
InChIKeyGARLKBSGBMMGEV-UHFFFAOYSA-N
MW421.47 g/mol
LogP5.39
Rot. Bonds9

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

4-(4-fluorophenyl)-5-[4-(2-methoxyphenoxy)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole (PubChem CID 142655445) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[4-(2-methoxyphenoxy)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[4-(2-methoxyphenoxy)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole
PubChem CID142655445
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name4-(4-fluorophenyl)-5-[4-(2-methoxyphenoxy)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole
SMILESCOc1ccccc1OCCCCc1oc(-n2ccnc2C)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O3/c1-17-26-14-15-28(17)24-27-23(18-10-12-19(25)13-11-18)22(31-24)9-5-6-16-30-21-8-4-3-7-20(21)29-2/h3-4,7-8,10-15H,5-6,9,16H2,1-2H3
InChIKeyGARLKBSGBMMGEV-UHFFFAOYSA-N
XLogP5.39
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.47
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1-Methyl-4-phenylimidazol-2-yl)ethyl]-5-phenyl-1,3-oxazole
CID 165414994
5-methyl-4-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole
CID 165368446
4-(4-Chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole
CID 9954077
4-[(2-Ethyl-4-methylimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 56658461
2-(4-Methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
CID 56658949
2-(4-Methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole
CID 56660033
4-[(4-Phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 56665003
2-(3-Ethoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
CID 56665950
4-[(2,4-Dimethylimidazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 56670368
2-(4-Fluorophenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
CID 56672468
4-[(2,4-Dimethylimidazol-1-yl)methyl]-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 56679276
2-(3-Methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
CID 56680528

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[4-(2-methoxyphenoxy)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)-5-[4-(2-methoxyphenoxy)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole (CID 142655445) is 4-(4-fluorophenyl)-5-[4-(2-methoxyphenoxy)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[4-(2-methoxyphenoxy)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-[4-(2-methoxyphenoxy)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole is COc1ccccc1OCCCCc1oc(-n2ccnc2C)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[4-(2-methoxyphenoxy)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole?
The InChIKey is GARLKBSGBMMGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-17-26-14-15-28(17)24-27-23(18-10-12-19(25)13-11-18)22(31-24)9-5-6-16-30-21-8-4-3-7-20(21)29-2/h3-4,7-8,10-15H,5-6,9,16H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-5-[4-(2-methoxyphenoxy)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole?
4-(4-fluorophenyl)-5-[4-(2-methoxyphenoxy)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole has a molecular weight of 421.47 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[4-(2-methoxyphenoxy)butyl]-2-(2-methylimidazol-1-yl)-1,3-oxazole is sourced from PubChem (CID 142655445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).