2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile

C8H10N2O — CID 82417474

IUPAC2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile
SMILESCCc1oc(CC#N)nc1C
InChIInChI=1S/C8H10N2O/c1-3-7-6(2)10-8(11-7)4-5-9/h3-4H2,1-2H3
InChIKeyQIOBAYZAGOKKQT-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.61
Rot. Bonds2

About 2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile

2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile (PubChem CID 82417474) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile
PubChem CID82417474
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile
SMILESCCc1oc(CC#N)nc1C
InChIInChI=1S/C8H10N2O/c1-3-7-6(2)10-8(11-7)4-5-9/h3-4H2,1-2H3
InChIKeyQIOBAYZAGOKKQT-UHFFFAOYSA-N
XLogP1.61
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile?
The IUPAC name of 2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile (CID 82417474) is 2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile?
The canonical SMILES for 2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile is CCc1oc(CC#N)nc1C.
What is the InChIKey of 2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile?
The InChIKey is QIOBAYZAGOKKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-3-7-6(2)10-8(11-7)4-5-9/h3-4H2,1-2H3.
What are the key properties of 2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile?
2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile has a molecular weight of 150.18 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile is sourced from PubChem (CID 82417474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).