1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate

C17H12BrN3O3S — CID 166205393

IUPAC1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate
SMILESCC(OC(=O)c1cc2cc(Br)ccc2[nH]1)c1nc(-c2cccs2)no1
InChIInChI=1S/C17H12BrN3O3S/c1-9(16-20-15(21-24-16)14-3-2-6-25-14)23-17(22)13-8-10-7-11(18)4-5-12(10)19-13/h2-9,19H,1H3
InChIKeySFUFODXOTBOUOA-UHFFFAOYSA-N
MW418.27 g/mol
LogP4.96
Rot. Bonds4

About 1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate

1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate (PubChem CID 166205393) has the molecular formula C17H12BrN3O3S and a molecular weight of 418.27 g/mol. Its IUPAC name is 1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate.

Molecular Properties

Compound Name1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate
PubChem CID166205393
Molecular FormulaC17H12BrN3O3S
Molecular Weight418.27 g/mol
Exact Mass416.98
IUPAC Name1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate
SMILESCC(OC(=O)c1cc2cc(Br)ccc2[nH]1)c1nc(-c2cccs2)no1
InChIInChI=1S/C17H12BrN3O3S/c1-9(16-20-15(21-24-16)14-3-2-6-25-14)23-17(22)13-8-10-7-11(18)4-5-12(10)19-13/h2-9,19H,1H3
InChIKeySFUFODXOTBOUOA-UHFFFAOYSA-N
XLogP4.96
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate with MolForge

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Related Compounds

2-methyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-5-amine
CID 91642725
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl] acetate
CID 44605912
5-[1-(4-ethoxyphenoxy)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78853239
2,2-dimethyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 138997359
5-[[(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3H-1,3-benzoxazol-2-one
CID 95299328
methyl (3R)-3-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylbutanoate
CID 96550466
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
CID 71985268
1-phenylethyl 5-amino-1H-indole-2-carboxylate
CID 107363350
6-bromo-3-ethyl-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 55589888
5-[(1R)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95154621

Frequently Asked Questions

What is the IUPAC name of 1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate?
The IUPAC name of 1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate (CID 166205393) is 1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate.
What is the SMILES notation for 1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate?
The canonical SMILES for 1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate is CC(OC(=O)c1cc2cc(Br)ccc2[nH]1)c1nc(-c2cccs2)no1.
What is the InChIKey of 1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate?
The InChIKey is SFUFODXOTBOUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O3S/c1-9(16-20-15(21-24-16)14-3-2-6-25-14)23-17(22)13-8-10-7-11(18)4-5-12(10)19-13/h2-9,19H,1H3.
What are the key properties of 1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate?
1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate has a molecular weight of 418.27 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl 5-bromo-1H-indole-2-carboxylate is sourced from PubChem (CID 166205393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).