ethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate

C25H26ClN3O4 — CID 67094462

IUPACethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate
SMILESCCOC(=O)CCc1cc2cc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)ccc2n1C
InChIInChI=1S/C25H26ClN3O4/c1-5-31-23(30)11-8-19-13-18-12-16(6-9-21(18)29(19)4)24-27-25(33-28-24)17-7-10-22(20(26)14-17)32-15(2)3/h6-7,9-10,12-15H,5,8,11H2,1-4H3
InChIKeySBEBIIIMTBVSIM-UHFFFAOYSA-N
MW467.95 g/mol
LogP5.83
Rot. Bonds8

About ethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate

ethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate (PubChem CID 67094462) has the molecular formula C25H26ClN3O4 and a molecular weight of 467.95 g/mol. Its IUPAC name is ethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate
PubChem CID67094462
Molecular FormulaC25H26ClN3O4
Molecular Weight467.95 g/mol
Exact Mass467.16
IUPAC Nameethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate
SMILESCCOC(=O)CCc1cc2cc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)ccc2n1C
InChIInChI=1S/C25H26ClN3O4/c1-5-31-23(30)11-8-19-13-18-12-16(6-9-21(18)29(19)4)24-27-25(33-28-24)17-7-10-22(20(26)14-17)32-15(2)3/h6-7,9-10,12-15H,5,8,11H2,1-4H3
InChIKeySBEBIIIMTBVSIM-UHFFFAOYSA-N
XLogP5.83
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.95
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

sodium 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoate
CID 66677340
ethyl 3-[4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-2-yl]propanoate
CID 59316733
ethyl 3-[5-[5-(3-chloro-4-methylperoxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-1-yl]propanoate
CID 87517481
ethyl 3-[2-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-3-yl]ethylamino]propanoate
CID 59146046
3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-1-yl]-2,2-dimethylpropanoic acid
CID 25060205
5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]isoindole-2-carboxylic acid
CID 67230085
ethyl 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]propanoate
CID 67288846
3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoyl 5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-indole-2-carboxylate
CID 87241399
ethyl 4-[5-[5-(3-methanimidoyl-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indazol-1-yl]butanoate
CID 147980741
2-methylpropyl 3-[7-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-3-yl]propanoate
CID 67025228
3-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]cyclobutane-1-carboxylic acid;ethyl 3-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]cyclobutane-1-carboxylate
CID 161355480
ethyl 3-[5-[5-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-2-yl]propanoate
CID 58222443

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate?
The IUPAC name of ethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate (CID 67094462) is ethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate?
The canonical SMILES for ethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate is CCOC(=O)CCc1cc2cc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)ccc2n1C.
What is the InChIKey of ethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate?
The InChIKey is SBEBIIIMTBVSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4/c1-5-31-23(30)11-8-19-13-18-12-16(6-9-21(18)29(19)4)24-27-25(33-28-24)17-7-10-22(20(26)14-17)32-15(2)3/h6-7,9-10,12-15H,5,8,11H2,1-4H3.
What are the key properties of ethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate?
ethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate has a molecular weight of 467.95 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-methylindol-2-yl]propanoate is sourced from PubChem (CID 67094462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).