3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate

C23H19N4O4- — CID 59318418

IUPAC3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate
SMILESCC(C)Oc1ccc(-c2nc(-c3ccc4c(ccn4CCC(=O)[O-])c3)no2)cc1C#N
InChIInChI=1S/C23H20N4O4/c1-14(2)30-20-6-4-17(12-18(20)13-24)23-25-22(26-31-23)16-3-5-19-15(11-16)7-9-27(19)10-8-21(28)29/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,28,29)/p-1
InChIKeyJXFAYGCVJMEDKI-UHFFFAOYSA-M
MW415.43 g/mol
LogP3.16
Rot. Bonds7

About 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate

3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate (PubChem CID 59318418) has the molecular formula C23H19N4O4- and a molecular weight of 415.43 g/mol. Its IUPAC name is 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate.

Molecular Properties

Compound Name3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate
PubChem CID59318418
Molecular FormulaC23H19N4O4-
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate
SMILESCC(C)Oc1ccc(-c2nc(-c3ccc4c(ccn4CCC(=O)[O-])c3)no2)cc1C#N
InChIInChI=1S/C23H20N4O4/c1-14(2)30-20-6-4-17(12-18(20)13-24)23-25-22(26-31-23)16-3-5-19-15(11-16)7-9-27(19)10-8-21(28)29/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,28,29)/p-1
InChIKeyJXFAYGCVJMEDKI-UHFFFAOYSA-M
XLogP3.16
TPSA117.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate 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 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate?
The IUPAC name of 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate (CID 59318418) is 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate.
What is the SMILES notation for 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate?
The canonical SMILES for 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate is CC(C)Oc1ccc(-c2nc(-c3ccc4c(ccn4CCC(=O)[O-])c3)no2)cc1C#N.
What is the InChIKey of 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate?
The InChIKey is JXFAYGCVJMEDKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H20N4O4/c1-14(2)30-20-6-4-17(12-18(20)13-24)23-25-22(26-31-23)16-3-5-19-15(11-16)7-9-27(19)10-8-21(28)29/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,28,29)/p-1.
What are the key properties of 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate?
3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate has a molecular weight of 415.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate is sourced from PubChem (CID 59318418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).