3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole

C20H17Cl3N2O2 — CID 59556738

IUPAC3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole
SMILESCC(C)Oc1ccc(-c2noc(C3(c4ccc(Cl)cc4Cl)CC3)n2)cc1Cl
InChIInChI=1S/C20H17Cl3N2O2/c1-11(2)26-17-6-3-12(9-16(17)23)18-24-19(27-25-18)20(7-8-20)14-5-4-13(21)10-15(14)22/h3-6,9-11H,7-8H2,1-2H3
InChIKeyXNZQGVALKLXQKY-UHFFFAOYSA-N
MW423.73 g/mol
LogP6.56
Rot. Bonds5

About 3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole

3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole (PubChem CID 59556738) has the molecular formula C20H17Cl3N2O2 and a molecular weight of 423.73 g/mol. Its IUPAC name is 3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole
PubChem CID59556738
Molecular FormulaC20H17Cl3N2O2
Molecular Weight423.73 g/mol
Exact Mass422.04
IUPAC Name3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole
SMILESCC(C)Oc1ccc(-c2noc(C3(c4ccc(Cl)cc4Cl)CC3)n2)cc1Cl
InChIInChI=1S/C20H17Cl3N2O2/c1-11(2)26-17-6-3-12(9-16(17)23)18-24-19(27-25-18)20(7-8-20)14-5-4-13(21)10-15(14)22/h3-6,9-11H,7-8H2,1-2H3
InChIKeyXNZQGVALKLXQKY-UHFFFAOYSA-N
XLogP6.56
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.73
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-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-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 59556697
3-(3-chloro-4-propan-2-yloxyphenyl)-5-(2H-pyrrol-5-yl)-1,2,4-oxadiazole
CID 71094123
5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 68768371
3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 59556739
3-(3-chloro-4-propan-2-yloxyphenyl)-5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 68771112
5-[4-(azetidin-1-ylmethyl)phenyl]-3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 141206756
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 7321005
5-[1-(2,4-dichlorophenoxy)ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 71212790
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2368015
3-(3-chloro-4-fluorophenyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983391
4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-3-(trifluoromethyl)aniline
CID 123691513
2-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]methyl]propane-1,3-diol
CID 59556640

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole (CID 59556738) is 3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole is CC(C)Oc1ccc(-c2noc(C3(c4ccc(Cl)cc4Cl)CC3)n2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is XNZQGVALKLXQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl3N2O2/c1-11(2)26-17-6-3-12(9-16(17)23)18-24-19(27-25-18)20(7-8-20)14-5-4-13(21)10-15(14)22/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole?
3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 423.73 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 59556738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).