2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile

C9H6N2OS — CID 26695420

IUPAC2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
SMILESN#CCc1coc(-c2cccs2)n1
InChIInChI=1S/C9H6N2OS/c10-4-3-7-6-12-9(11-7)8-2-1-5-13-8/h1-2,5-6H,3H2
InChIKeyPKGUQPODFNOKNG-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.47
Rot. Bonds2

About 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile

2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile (PubChem CID 26695420) has the molecular formula C9H6N2OS and a molecular weight of 190.23 g/mol. Its IUPAC name is 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
PubChem CID26695420
Molecular FormulaC9H6N2OS
Molecular Weight190.23 g/mol
Exact Mass190.02
IUPAC Name2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
SMILESN#CCc1coc(-c2cccs2)n1
InChIInChI=1S/C9H6N2OS/c10-4-3-7-6-12-9(11-7)8-2-1-5-13-8/h1-2,5-6H,3H2
InChIKeyPKGUQPODFNOKNG-UHFFFAOYSA-N
XLogP2.47
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole
CID 97236392
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 103705810
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 17437492
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine
CID 8803017
N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 62686633
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
CID 43214269

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile?
The IUPAC name of 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile (CID 26695420) is 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile?
The canonical SMILES for 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile is N#CCc1coc(-c2cccs2)n1.
What is the InChIKey of 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile?
The InChIKey is PKGUQPODFNOKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS/c10-4-3-7-6-12-9(11-7)8-2-1-5-13-8/h1-2,5-6H,3H2.
What are the key properties of 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile?
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile has a molecular weight of 190.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile is sourced from PubChem (CID 26695420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).