5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole

C22H20ClN7O2 — CID 70683348

IUPAC5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c(CCc5nn[nH]n5)c[nH]c34)no2)cc1Cl
InChIInChI=1S/C22H20ClN7O2/c1-12(2)31-18-8-6-13(10-17(18)23)22-25-21(28-32-22)16-5-3-4-15-14(11-24-20(15)16)7-9-19-26-29-30-27-19/h3-6,8,10-12,24H,7,9H2,1-2H3,(H,26,27,29,30)
InChIKeySCKUJHJNDYGENY-UHFFFAOYSA-N
MW449.90 g/mol
LogP4.62
Rot. Bonds7

About 5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole

5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole (PubChem CID 70683348) has the molecular formula C22H20ClN7O2 and a molecular weight of 449.90 g/mol. Its IUPAC name is 5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole
PubChem CID70683348
Molecular FormulaC22H20ClN7O2
Molecular Weight449.90 g/mol
Exact Mass449.14
IUPAC Name5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c(CCc5nn[nH]n5)c[nH]c34)no2)cc1Cl
InChIInChI=1S/C22H20ClN7O2/c1-12(2)31-18-8-6-13(10-17(18)23)22-25-21(28-32-22)16-5-3-4-15-14(11-24-20(15)16)7-9-19-26-29-30-27-19/h3-6,8,10-12,24H,7,9H2,1-2H3,(H,26,27,29,30)
InChIKeySCKUJHJNDYGENY-UHFFFAOYSA-N
XLogP4.62
TPSA118.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.90
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-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

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole (CID 70683348) is 5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole is CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCc5nn[nH]n5)c[nH]c34)no2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole?
The InChIKey is SCKUJHJNDYGENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O2/c1-12(2)31-18-8-6-13(10-17(18)23)22-25-21(28-32-22)16-5-3-4-15-14(11-24-20(15)16)7-9-19-26-29-30-27-19/h3-6,8,10-12,24H,7,9H2,1-2H3,(H,26,27,29,30).
What are the key properties of 5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole?
5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole has a molecular weight of 449.90 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-propan-2-yloxyphenyl)-3-[3-[2-(2H-tetrazol-5-yl)ethyl]-1H-indol-7-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 70683348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).