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

C8H10N2O — CID 135170613

IUPAC2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanenitrile
SMILESCc1cc(C(C)(C)C#N)on1
InChIInChI=1S/C8H10N2O/c1-6-4-7(11-10-6)8(2,3)5-9/h4H,1-3H3
InChIKeyWJEGPABBEZBGFQ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.78
Rot. Bonds1

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

2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanenitrile (PubChem CID 135170613) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanenitrile
PubChem CID135170613
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanenitrile
SMILESCc1cc(C(C)(C)C#N)on1
InChIInChI=1S/C8H10N2O/c1-6-4-7(11-10-6)8(2,3)5-9/h4H,1-3H3
InChIKeyWJEGPABBEZBGFQ-UHFFFAOYSA-N
XLogP1.78
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanenitrile (CID 135170613) is 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanenitrile is Cc1cc(C(C)(C)C#N)on1.
What is the InChIKey of 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanenitrile?
The InChIKey is WJEGPABBEZBGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6-4-7(11-10-6)8(2,3)5-9/h4H,1-3H3.
What are the key properties of 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanenitrile?
2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanenitrile has a molecular weight of 150.18 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanenitrile is sourced from PubChem (CID 135170613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).