2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole

C16H17ClN4O3 — CID 71969272

IUPAC2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole
SMILESCOC(C)(C)c1noc(CCc2nnc(-c3ccc(Cl)cc3)o2)n1
InChIInChI=1S/C16H17ClN4O3/c1-16(2,22-3)15-18-12(24-21-15)8-9-13-19-20-14(23-13)10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyXNOLHVRAYKFYOY-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.44
Rot. Bonds6

About 2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole (PubChem CID 71969272) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole
PubChem CID71969272
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole
SMILESCOC(C)(C)c1noc(CCc2nnc(-c3ccc(Cl)cc3)o2)n1
InChIInChI=1S/C16H17ClN4O3/c1-16(2,22-3)15-18-12(24-21-15)8-9-13-19-20-14(23-13)10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyXNOLHVRAYKFYOY-UHFFFAOYSA-N
XLogP3.44
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-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

2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
5-(chloromethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 79202693
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 79201638
2-(4-chlorophenyl)-5-[[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153717
4-chloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 14567182
2-(4-chlorophenyl)-5-(dimethoxyphosphorylmethyl)-1,3,4-oxadiazole
CID 176515688
1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321497
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110321691
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole
CID 139238037

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole (CID 71969272) is 2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole is COC(C)(C)c1noc(CCc2nnc(-c3ccc(Cl)cc3)o2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole?
The InChIKey is XNOLHVRAYKFYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-16(2,22-3)15-18-12(24-21-15)8-9-13-19-20-14(23-13)10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole has a molecular weight of 348.79 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71969272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).