5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile

C6H6N2O2 — CID 82651130

IUPAC5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile
SMILESCOc1onc(C)c1C#N
InChIInChI=1S/C6H6N2O2/c1-4-5(3-7)6(9-2)10-8-4/h1-2H3
InChIKeyXGSSJTNZIQPCIG-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.86
Rot. Bonds1

About 5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile

5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile (PubChem CID 82651130) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile
PubChem CID82651130
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile
SMILESCOc1onc(C)c1C#N
InChIInChI=1S/C6H6N2O2/c1-4-5(3-7)6(9-2)10-8-4/h1-2H3
InChIKeyXGSSJTNZIQPCIG-UHFFFAOYSA-N
XLogP0.86
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxy-3-methyl-1,2-oxazol-4-yl)propan-2-amine
CID 82653201
5-methoxy-3-methyl-4-nitro-1,2-oxazole
CID 12794616
5-bromo-4-methoxy-2,6-dimethylpyridine-3-carbonitrile
CID 3686140
2-(5-methoxy-1,2-oxazol-4-yl)acetonitrile
CID 84762526
5-(5-hydroxy-3-methyl-2-oxoimidazolidin-1-yl)-3-methyl-1,2-oxazole-4-carbonitrile
CID 70554917
2-chloro-N-(4-cyano-3-methyl-1,2-oxazol-5-yl)benzamide
CID 4318316
3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile
CID 83704376
3,4,5-trimethyl-1,2-oxazole
CID 25375
N-butyl-5-methoxy-4-methyl-1,2-oxazole-3-carboxamide
CID 159486381
4-methoxy-1,2,5-oxadiazole-3-carbonitrile
CID 82418880
1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl thiocyanate
CID 142354021
2-amino-4-(2,3-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633482

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile (CID 82651130) is 5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile is COc1onc(C)c1C#N.
What is the InChIKey of 5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile?
The InChIKey is XGSSJTNZIQPCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-4-5(3-7)6(9-2)10-8-4/h1-2H3.
What are the key properties of 5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile?
5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile has a molecular weight of 138.13 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 82651130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).