ethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate

C24H26N4O3 — CID 90355971

IUPACethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2noc(-c3ccc4nn(C(C)C)cc4c3)n2)c(C)c1
InChIInChI=1S/C24H26N4O3/c1-5-30-22(29)11-7-17-6-9-20(16(4)12-17)23-25-24(31-27-23)18-8-10-21-19(13-18)14-28(26-21)15(2)3/h6,8-10,12-15H,5,7,11H2,1-4H3
InChIKeyLBCUGMSGNFXCFT-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.14
Rot. Bonds7

About ethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate

ethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate (PubChem CID 90355971) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is ethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate
PubChem CID90355971
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Nameethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2noc(-c3ccc4nn(C(C)C)cc4c3)n2)c(C)c1
InChIInChI=1S/C24H26N4O3/c1-5-30-22(29)11-7-17-6-9-20(16(4)12-17)23-25-24(31-27-23)18-8-10-21-19(13-18)14-28(26-21)15(2)3/h6,8-10,12-15H,5,7,11H2,1-4H3
InChIKeyLBCUGMSGNFXCFT-UHFFFAOYSA-N
XLogP5.14
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]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 ethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate?
The IUPAC name of ethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate (CID 90355971) is ethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate is CCOC(=O)CCc1ccc(-c2noc(-c3ccc4nn(C(C)C)cc4c3)n2)c(C)c1.
What is the InChIKey of ethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate?
The InChIKey is LBCUGMSGNFXCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-5-30-22(29)11-7-17-6-9-20(16(4)12-17)23-25-24(31-27-23)18-8-10-21-19(13-18)14-28(26-21)15(2)3/h6,8-10,12-15H,5,7,11H2,1-4H3.
What are the key properties of ethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate?
ethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate has a molecular weight of 418.50 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-methyl-4-[5-(2-propan-2-ylindazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]propanoate is sourced from PubChem (CID 90355971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).