2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol

C11H11N5O2S — CID 55067381

IUPAC2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2noc(-c3cccs3)n2)nn1
InChIInChI=1S/C11H11N5O2S/c17-4-3-8-6-16(15-13-8)7-10-12-11(18-14-10)9-2-1-5-19-9/h1-2,5-6,17H,3-4,7H2
InChIKeyQVDCWMINRWQEQI-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.97
Rot. Bonds5

About 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol

2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol (PubChem CID 55067381) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol
PubChem CID55067381
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol
SMILESOCCc1cn(Cc2noc(-c3cccs3)n2)nn1
InChIInChI=1S/C11H11N5O2S/c17-4-3-8-6-16(15-13-8)7-10-12-11(18-14-10)9-2-1-5-19-9/h1-2,5-6,17H,3-4,7H2
InChIKeyQVDCWMINRWQEQI-UHFFFAOYSA-N
XLogP0.97
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol with MolForge

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Related Compounds

2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine
CID 63999534
2-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]triazol-4-yl]ethanol
CID 62401525
3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 52619765
3-[[4-(2-chloroethyl)triazol-1-yl]methyl]-5-(2-chlorophenyl)-1,2,4-oxadiazole
CID 62401031
4-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]butan-1-amine
CID 104539212
3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-5-(2-chlorophenyl)-1,2,4-oxadiazole
CID 62394421
5-ethyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxylic acid
CID 62060129
2-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]acetic acid
CID 107461289
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol
CID 62402205
4-(2-chloroethyl)-1-(thiophen-2-ylmethyl)triazole
CID 62400654
3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53170046
5-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pentan-1-ol
CID 107203786

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol (CID 55067381) is 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol is OCCc1cn(Cc2noc(-c3cccs3)n2)nn1.
What is the InChIKey of 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is QVDCWMINRWQEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c17-4-3-8-6-16(15-13-8)7-10-12-11(18-14-10)9-2-1-5-19-9/h1-2,5-6,17H,3-4,7H2.
What are the key properties of 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol?
2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 277.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 55067381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).