2-(5-methyl-1,2-oxazol-3-yl)acetonitrile

C6H6N2O — CID 11217252

IUPAC2-(5-methyl-1,2-oxazol-3-yl)acetonitrile
SMILESCc1cc(CC#N)no1
InChIInChI=1S/C6H6N2O/c1-5-4-6(2-3-7)8-9-5/h4H,2H2,1H3
InChIKeyFMCBKOOPDBRCGZ-UHFFFAOYSA-N
MW122.13 g/mol
LogP1.05
Rot. Bonds1

About 2-(5-methyl-1,2-oxazol-3-yl)acetonitrile

2-(5-methyl-1,2-oxazol-3-yl)acetonitrile (PubChem CID 11217252) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)acetonitrile
PubChem CID11217252
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)acetonitrile
SMILESCc1cc(CC#N)no1
InChIInChI=1S/C6H6N2O/c1-5-4-6(2-3-7)8-9-5/h4H,2H2,1H3
InChIKeyFMCBKOOPDBRCGZ-UHFFFAOYSA-N
XLogP1.05
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethylisoxazole
CID 9312
(3-Ethyl-1,2-oxazol-5-yl)methanamine
CID 6483891
5-(3-Chloropropyl)-3-methylisoxazole
CID 10103423
5-Methyl-1,2-oxazole-3-carbonitrile
CID 24229456
1-(5-Methyl-1,2-oxazol-3-yl)ethan-1-one
CID 11147714
5-(Bromomethyl)-3-ethyl-1,2-oxazole
CID 12174845
2-(1,2-Oxazol-3-yl)acetonitrile
CID 14765771
5-(Bromomethyl)-3-(propan-2-yl)-1,2-oxazole
CID 14852907
3-Methyl-5-(trifluoromethyl)-1,2-oxazole
CID 16443300
1-(3-Methyl-1,2-oxazol-5-yl)ethan-1-one
CID 13001394
3-Methyl-1,2-oxazole-5-carbonitrile
CID 21271257
(3-Propylisoxazol-5-yl)methanamine
CID 6484232

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)acetonitrile?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)acetonitrile (CID 11217252) is 2-(5-methyl-1,2-oxazol-3-yl)acetonitrile.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)acetonitrile?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)acetonitrile is Cc1cc(CC#N)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)acetonitrile?
The InChIKey is FMCBKOOPDBRCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-5-4-6(2-3-7)8-9-5/h4H,2H2,1H3.
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)acetonitrile?
2-(5-methyl-1,2-oxazol-3-yl)acetonitrile has a molecular weight of 122.13 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)acetonitrile is sourced from PubChem (CID 11217252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).