2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile

C8H10N2O2 — CID 130130105

IUPAC2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile
SMILESCC(C)c1cc(C(O)C#N)on1
InChIInChI=1S/C8H10N2O2/c1-5(2)6-3-8(12-10-6)7(11)4-9/h3,5,7,11H,1-2H3
InChIKeySMWDOQBOGRMTNB-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.35
Rot. Bonds2

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

2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile (PubChem CID 130130105) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile
PubChem CID130130105
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile
SMILESCC(C)c1cc(C(O)C#N)on1
InChIInChI=1S/C8H10N2O2/c1-5(2)6-3-8(12-10-6)7(11)4-9/h3,5,7,11H,1-2H3
InChIKeySMWDOQBOGRMTNB-UHFFFAOYSA-N
XLogP1.35
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

3,5-di(propan-2-yl)-1,2-oxazole;methane
CID 160901645
2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane
CID 158635482
1-[3-[(2S)-3-methylbutan-2-yl]-1,2-oxazol-5-yl]ethanol
CID 122577397
N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine
CID 25220772
N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 89054004
2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid
CID 83828593
N,N-dimethyl-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 130669877
2-(3-methoxy-1,2-oxazol-5-yl)propanenitrile
CID 138470279
(2S)-2-hydroxy-2-(3-propan-2-ylphenyl)acetonitrile
CID 98086839
(2S)-3,3-dimethyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-2-carbonitrile
CID 100655016
3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
CID 83831331
2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
CID 112716588

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile?
The IUPAC name of 2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile (CID 130130105) is 2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile.
What is the SMILES notation for 2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile?
The canonical SMILES for 2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile is CC(C)c1cc(C(O)C#N)on1.
What is the InChIKey of 2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile?
The InChIKey is SMWDOQBOGRMTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5(2)6-3-8(12-10-6)7(11)4-9/h3,5,7,11H,1-2H3.
What are the key properties of 2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile?
2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile has a molecular weight of 166.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(3-propan-2-yl-1,2-oxazol-5-yl)acetonitrile is sourced from PubChem (CID 130130105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).