2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile

C9H12N2O — CID 82414888

IUPAC2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile
SMILESCC(C)(C)c1cnc(CC#N)o1
InChIInChI=1S/C9H12N2O/c1-9(2,3)7-6-11-8(12-7)4-5-10/h6H,4H2,1-3H3
InChIKeyFZCCKCMERXVOKG-UHFFFAOYSA-N
MW164.21 g/mol
LogP2.04
Rot. Bonds1

About 2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile

2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile (PubChem CID 82414888) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile
PubChem CID82414888
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile
SMILESCC(C)(C)c1cnc(CC#N)o1
InChIInChI=1S/C9H12N2O/c1-9(2,3)7-6-11-8(12-7)4-5-10/h6H,4H2,1-3H3
InChIKeyFZCCKCMERXVOKG-UHFFFAOYSA-N
XLogP2.04
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile?
The IUPAC name of 2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile (CID 82414888) is 2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile?
The canonical SMILES for 2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile is CC(C)(C)c1cnc(CC#N)o1.
What is the InChIKey of 2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile?
The InChIKey is FZCCKCMERXVOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-9(2,3)7-6-11-8(12-7)4-5-10/h6H,4H2,1-3H3.
What are the key properties of 2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile?
2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile has a molecular weight of 164.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,3-oxazol-2-yl)acetonitrile is sourced from PubChem (CID 82414888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).