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

C22H22ClF2NO2 — CID 130330558

IUPAC4-(4-chlorophenyl)-2-[1-(2,4-difluoro-3-methylphenoxy)propyl]-5-propyl-1,3-oxazole
SMILESCCCc1oc(C(CC)Oc2ccc(F)c(C)c2F)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClF2NO2/c1-4-6-19-21(14-7-9-15(23)10-8-14)26-22(28-19)17(5-2)27-18-12-11-16(24)13(3)20(18)25/h7-12,17H,4-6H2,1-3H3
InChIKeyCUUOFKWJPHFMPK-UHFFFAOYSA-N
MW405.87 g/mol
LogP7.06
Rot. Bonds7

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

4-(4-chlorophenyl)-2-[1-(2,4-difluoro-3-methylphenoxy)propyl]-5-propyl-1,3-oxazole (PubChem CID 130330558) has the molecular formula C22H22ClF2NO2 and a molecular weight of 405.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[1-(2,4-difluoro-3-methylphenoxy)propyl]-5-propyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[1-(2,4-difluoro-3-methylphenoxy)propyl]-5-propyl-1,3-oxazole
PubChem CID130330558
Molecular FormulaC22H22ClF2NO2
Molecular Weight405.87 g/mol
Exact Mass405.13
IUPAC Name4-(4-chlorophenyl)-2-[1-(2,4-difluoro-3-methylphenoxy)propyl]-5-propyl-1,3-oxazole
SMILESCCCc1oc(C(CC)Oc2ccc(F)c(C)c2F)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22ClF2NO2/c1-4-6-19-21(14-7-9-15(23)10-8-14)26-22(28-19)17(5-2)27-18-12-11-16(24)13(3)20(18)25/h7-12,17H,4-6H2,1-3H3
InChIKeyCUUOFKWJPHFMPK-UHFFFAOYSA-N
XLogP7.06
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.87
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-2-[1-(2,4-difluoro-3-methylphenoxy)propyl]-5-propyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[1-(2,4-difluoro-3-methylphenoxy)propyl]-5-propyl-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[1-(2,4-difluoro-3-methylphenoxy)propyl]-5-propyl-1,3-oxazole (CID 130330558) is 4-(4-chlorophenyl)-2-[1-(2,4-difluoro-3-methylphenoxy)propyl]-5-propyl-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[1-(2,4-difluoro-3-methylphenoxy)propyl]-5-propyl-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[1-(2,4-difluoro-3-methylphenoxy)propyl]-5-propyl-1,3-oxazole is CCCc1oc(C(CC)Oc2ccc(F)c(C)c2F)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[1-(2,4-difluoro-3-methylphenoxy)propyl]-5-propyl-1,3-oxazole?
The InChIKey is CUUOFKWJPHFMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF2NO2/c1-4-6-19-21(14-7-9-15(23)10-8-14)26-22(28-19)17(5-2)27-18-12-11-16(24)13(3)20(18)25/h7-12,17H,4-6H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-2-[1-(2,4-difluoro-3-methylphenoxy)propyl]-5-propyl-1,3-oxazole?
4-(4-chlorophenyl)-2-[1-(2,4-difluoro-3-methylphenoxy)propyl]-5-propyl-1,3-oxazole has a molecular weight of 405.87 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[1-(2,4-difluoro-3-methylphenoxy)propyl]-5-propyl-1,3-oxazole is sourced from PubChem (CID 130330558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).