4-(1,2-oxazol-4-yl)but-3-enenitrile

C7H6N2O — CID 170799056

IUPAC4-(1,2-oxazol-4-yl)but-3-enenitrile
SMILESN#CCC=Cc1cnoc1
InChIInChI=1S/C7H6N2O/c8-4-2-1-3-7-5-9-10-6-7/h1,3,5-6H,2H2
InChIKeyQCTXEUICBBUMLR-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.60
Rot. Bonds2

About 4-(1,2-oxazol-4-yl)but-3-enenitrile

4-(1,2-oxazol-4-yl)but-3-enenitrile (PubChem CID 170799056) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 4-(1,2-oxazol-4-yl)but-3-enenitrile.

Molecular Properties

Compound Name4-(1,2-oxazol-4-yl)but-3-enenitrile
PubChem CID170799056
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name4-(1,2-oxazol-4-yl)but-3-enenitrile
SMILESN#CCC=Cc1cnoc1
InChIInChI=1S/C7H6N2O/c8-4-2-1-3-7-5-9-10-6-7/h1,3,5-6H,2H2
InChIKeyQCTXEUICBBUMLR-UHFFFAOYSA-N
XLogP1.60
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-4-yl)but-3-enenitrile?
The IUPAC name of 4-(1,2-oxazol-4-yl)but-3-enenitrile (CID 170799056) is 4-(1,2-oxazol-4-yl)but-3-enenitrile.
What is the SMILES notation for 4-(1,2-oxazol-4-yl)but-3-enenitrile?
The canonical SMILES for 4-(1,2-oxazol-4-yl)but-3-enenitrile is N#CCC=Cc1cnoc1.
What is the InChIKey of 4-(1,2-oxazol-4-yl)but-3-enenitrile?
The InChIKey is QCTXEUICBBUMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c8-4-2-1-3-7-5-9-10-6-7/h1,3,5-6H,2H2.
What are the key properties of 4-(1,2-oxazol-4-yl)but-3-enenitrile?
4-(1,2-oxazol-4-yl)but-3-enenitrile has a molecular weight of 134.14 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-4-yl)but-3-enenitrile is sourced from PubChem (CID 170799056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).