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

C6H6N2O — CID 119087354

IUPAC2-(1,3-oxazol-2-yl)propanenitrile
SMILESCC(C#N)c1ncco1
InChIInChI=1S/C6H6N2O/c1-5(4-7)6-8-2-3-9-6/h2-3,5H,1H3
InChIKeyWVUAOAIHXFZJLE-UHFFFAOYSA-N
MW122.13 g/mol
LogP1.30
Rot. Bonds1

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

2-(1,3-oxazol-2-yl)propanenitrile (PubChem CID 119087354) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)propanenitrile
PubChem CID119087354
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name2-(1,3-oxazol-2-yl)propanenitrile
SMILESCC(C#N)c1ncco1
InChIInChI=1S/C6H6N2O/c1-5(4-7)6-8-2-3-9-6/h2-3,5H,1H3
InChIKeyWVUAOAIHXFZJLE-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-propan-2-yl-1,3-oxazole
CID 143094389
(1S)-1-(1,3-oxazol-2-yl)ethanamine
CID 28924825
2-[(1R)-1-iodoethyl]-1,3-oxazole
CID 149131745
1-(1,3-oxazol-2-yl)ethanethiol
CID 142401633
2-[(2S)-butan-2-yl]-1,3-oxazole
CID 89019255
2-(dichloromethyl)-1,3-oxazole
CID 53407610
2-(difluoromethyl)-1,3-oxazole
CID 142510645
2-(2-methylpentan-3-yl)-1,3-oxazole
CID 170118865
2-(2-methylpyrimidin-4-yl)propanenitrile
CID 83845483
2-(1-imidazol-1-ylethyl)-1,3-oxazole
CID 174586320
(1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine
CID 166692011
2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine
CID 82416552

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-yl)propanenitrile?
The IUPAC name of 2-(1,3-oxazol-2-yl)propanenitrile (CID 119087354) is 2-(1,3-oxazol-2-yl)propanenitrile.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)propanenitrile?
The canonical SMILES for 2-(1,3-oxazol-2-yl)propanenitrile is CC(C#N)c1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-yl)propanenitrile?
The InChIKey is WVUAOAIHXFZJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-5(4-7)6-8-2-3-9-6/h2-3,5H,1H3.
What are the key properties of 2-(1,3-oxazol-2-yl)propanenitrile?
2-(1,3-oxazol-2-yl)propanenitrile has a molecular weight of 122.13 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)propanenitrile is sourced from PubChem (CID 119087354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).