2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile

C13H12N2O — CID 67324339

IUPAC2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile
SMILESCC(C)(C#N)c1coc(-c2ccccc2)n1
InChIInChI=1S/C13H12N2O/c1-13(2,9-14)11-8-16-12(15-11)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyZBZUVLSYULIKQP-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.14
Rot. Bonds2

About 2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile

2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile (PubChem CID 67324339) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile
PubChem CID67324339
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile
SMILESCC(C)(C#N)c1coc(-c2ccccc2)n1
InChIInChI=1S/C13H12N2O/c1-13(2,9-14)11-8-16-12(15-11)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyZBZUVLSYULIKQP-UHFFFAOYSA-N
XLogP3.14
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile (CID 67324339) is 2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile is CC(C)(C#N)c1coc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile?
The InChIKey is ZBZUVLSYULIKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-13(2,9-14)11-8-16-12(15-11)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile?
2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile has a molecular weight of 212.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propanenitrile is sourced from PubChem (CID 67324339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).