ethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate

C24H27N5O3 — CID 58559182

IUPACethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc2cc(-c3noc(-c4nn(C)c5c4CCC(C)(C)C5)n3)ccc21
InChIInChI=1S/C24H27N5O3/c1-5-31-20(30)14-29-11-9-15-12-16(6-7-18(15)29)22-25-23(32-27-22)21-17-8-10-24(2,3)13-19(17)28(4)26-21/h6-7,9,11-12H,5,8,10,13-14H2,1-4H3
InChIKeyDNHNRVWHMCZIMN-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.17
Rot. Bonds5

About ethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate

ethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate (PubChem CID 58559182) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is ethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate
PubChem CID58559182
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Nameethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc2cc(-c3noc(-c4nn(C)c5c4CCC(C)(C)C5)n3)ccc21
InChIInChI=1S/C24H27N5O3/c1-5-31-20(30)14-29-11-9-15-12-16(6-7-18(15)29)22-25-23(32-27-22)21-17-8-10-24(2,3)13-19(17)28(4)26-21/h6-7,9,11-12H,5,8,10,13-14H2,1-4H3
InChIKeyDNHNRVWHMCZIMN-UHFFFAOYSA-N
XLogP4.17
TPSA87.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate with MolForge

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Related Compounds

N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]naphthalene-2-carboxamide
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(5-(1-(3-Methylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
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(5-(1-(3,5-Dimethylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637065
Methyl 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]indazol-2-yl]pentanoate
CID 57391213
N-((5-(1-(2-(1H-imidazol-1-yl)ethyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methyl)benzamide
CID 52920492
2,3-difluoro-N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53239343
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methylbenzamide
CID 53239560
N-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-methyl-4-nitrobenzamide
CID 53239562
4-tert-butyl-N-[[5-[1-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 67154258
tert-butyl (5-(1-(2-(1H-imidazol-1-yl)ethyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methylcarbamate
CID 68338160
US8785489, 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-(tetrahydro-2H-pyran-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 135887153
US8785489, 1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 135887168

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate (CID 58559182) is ethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate is CCOC(=O)Cn1ccc2cc(-c3noc(-c4nn(C)c5c4CCC(C)(C)C5)n3)ccc21.
What is the InChIKey of ethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate?
The InChIKey is DNHNRVWHMCZIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-5-31-20(30)14-29-11-9-15-12-16(6-7-18(15)29)22-25-23(32-27-22)21-17-8-10-24(2,3)13-19(17)28(4)26-21/h6-7,9,11-12H,5,8,10,13-14H2,1-4H3.
What are the key properties of ethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate?
ethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate has a molecular weight of 433.51 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[5-(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]indol-1-yl]acetate is sourced from PubChem (CID 58559182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).