3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole

C17H15ClN2O2 — CID 8779237

IUPAC3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
SMILESCC(C)Oc1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1
InChIInChI=1S/C17H15ClN2O2/c1-11(2)21-15-5-3-4-13(10-15)17-19-16(20-22-17)12-6-8-14(18)9-7-12/h3-11H,1-2H3
InChIKeyGAFCFCPFVCSWFZ-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.84
Rot. Bonds4

About 3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole (PubChem CID 8779237) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
PubChem CID8779237
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
SMILESCC(C)Oc1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1
InChIInChI=1S/C17H15ClN2O2/c1-11(2)21-15-5-3-4-13(10-15)17-19-16(20-22-17)12-6-8-14(18)9-7-12/h3-11H,1-2H3
InChIKeyGAFCFCPFVCSWFZ-UHFFFAOYSA-N
XLogP4.84
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241
5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole
CID 93328876
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 95740885
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-propan-2-yloxybenzamide
CID 8779213
[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 43839720
2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62920689
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62921536
N-[[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62921190
3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
CID 1313859
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole (CID 8779237) is 3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole is CC(C)Oc1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole?
The InChIKey is GAFCFCPFVCSWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11(2)21-15-5-3-4-13(10-15)17-19-16(20-22-17)12-6-8-14(18)9-7-12/h3-11H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole has a molecular weight of 314.77 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 8779237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).