ethane;5-ethyl-1,2-oxazole-3-carbonitrile

C8H12N2O — CID 170603983

IUPACethane;5-ethyl-1,2-oxazole-3-carbonitrile
SMILESCC.CCc1cc(C#N)no1
InChIInChI=1S/C6H6N2O.C2H6/c1-2-6-3-5(4-7)8-9-6;1-2/h3H,2H2,1H3;1-2H3
InChIKeyIZBZCMBMWZKUFY-UHFFFAOYSA-N
MW152.20 g/mol
LogP2.13
Rot. Bonds1

About ethane;5-ethyl-1,2-oxazole-3-carbonitrile

ethane;5-ethyl-1,2-oxazole-3-carbonitrile (PubChem CID 170603983) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is ethane;5-ethyl-1,2-oxazole-3-carbonitrile.

Molecular Properties

Compound Nameethane;5-ethyl-1,2-oxazole-3-carbonitrile
PubChem CID170603983
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Nameethane;5-ethyl-1,2-oxazole-3-carbonitrile
SMILESCC.CCc1cc(C#N)no1
InChIInChI=1S/C6H6N2O.C2H6/c1-2-6-3-5(4-7)8-9-6;1-2/h3H,2H2,1H3;1-2H3
InChIKeyIZBZCMBMWZKUFY-UHFFFAOYSA-N
XLogP2.13
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1,2-oxazole-3-carbonitrile?
The IUPAC name of ethane;5-ethyl-1,2-oxazole-3-carbonitrile (CID 170603983) is ethane;5-ethyl-1,2-oxazole-3-carbonitrile.
What is the SMILES notation for ethane;5-ethyl-1,2-oxazole-3-carbonitrile?
The canonical SMILES for ethane;5-ethyl-1,2-oxazole-3-carbonitrile is CC.CCc1cc(C#N)no1.
What is the InChIKey of ethane;5-ethyl-1,2-oxazole-3-carbonitrile?
The InChIKey is IZBZCMBMWZKUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C2H6/c1-2-6-3-5(4-7)8-9-6;1-2/h3H,2H2,1H3;1-2H3.
What are the key properties of ethane;5-ethyl-1,2-oxazole-3-carbonitrile?
ethane;5-ethyl-1,2-oxazole-3-carbonitrile has a molecular weight of 152.20 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1,2-oxazole-3-carbonitrile is sourced from PubChem (CID 170603983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).