2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile

C8H5N3O2S — CID 6487483

IUPAC2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile
SMILESN#CCn1c(-c2cccs2)noc1=O
InChIInChI=1S/C8H5N3O2S/c9-3-4-11-7(10-13-8(11)12)6-2-1-5-14-6/h1-2,5H,4H2
InChIKeyANVBHPZHECHRAU-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.09
Rot. Bonds2

About 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile

2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile (PubChem CID 6487483) has the molecular formula C8H5N3O2S and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile
PubChem CID6487483
Molecular FormulaC8H5N3O2S
Molecular Weight207.21 g/mol
Exact Mass207.01
IUPAC Name2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile
SMILESN#CCn1c(-c2cccs2)noc1=O
InChIInChI=1S/C8H5N3O2S/c9-3-4-11-7(10-13-8(11)12)6-2-1-5-14-6/h1-2,5H,4H2
InChIKeyANVBHPZHECHRAU-UHFFFAOYSA-N
XLogP1.09
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47771997
4-[[4-(hydroxymethyl)phenyl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 110005307
4-[(2-methylphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 6624086
4-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 71882400
4-[(5-fluoro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 51128701
N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772048
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772040
N-naphthalen-1-yl-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772001
N-[(4-chlorophenyl)methyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772019
N-(4-acetylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 51099628
N-(2-ethyl-6-methylphenyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772068
4-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 47086246

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile?
The IUPAC name of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile (CID 6487483) is 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile?
The canonical SMILES for 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile is N#CCn1c(-c2cccs2)noc1=O.
What is the InChIKey of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile?
The InChIKey is ANVBHPZHECHRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2S/c9-3-4-11-7(10-13-8(11)12)6-2-1-5-14-6/h1-2,5H,4H2.
What are the key properties of 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile?
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile has a molecular weight of 207.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetonitrile is sourced from PubChem (CID 6487483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).