1,2-oxazole-4-carbonitrile

C4H2N2O — CID 15590756

IUPAC1,2-oxazole-4-carbonitrile
SMILESN#Cc1cnoc1
InChIInChI=1S/C4H2N2O/c5-1-4-2-6-7-3-4/h2-3H
InChIKeyONJYXAHBSGPICV-UHFFFAOYSA-N
MW94.07 g/mol
LogP0.55
Rot. Bonds

About 1,2-oxazole-4-carbonitrile

1,2-oxazole-4-carbonitrile (PubChem CID 15590756) has the molecular formula C4H2N2O and a molecular weight of 94.07 g/mol. Its IUPAC name is 1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name1,2-oxazole-4-carbonitrile
PubChem CID15590756
Molecular FormulaC4H2N2O
Molecular Weight94.07 g/mol
Exact Mass94.02
IUPAC Name1,2-oxazole-4-carbonitrile
SMILESN#Cc1cnoc1
InChIInChI=1S/C4H2N2O/c5-1-4-2-6-7-3-4/h2-3H
InChIKeyONJYXAHBSGPICV-UHFFFAOYSA-N
XLogP0.55
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.07
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1,2-oxazole
CID 12150354
4-(Bromomethyl)-1,2-oxazole
CID 12018275
4-(Chloromethyl)-1,2-oxazole
CID 21698363
1,2-Oxazole-4-carbaldehyde
CID 21779029
4-Iodo-1,2-oxazole
CID 22274060
(1,2-Oxazol-4-yl)methanamine hydrochloride
CID 22274230
2-(1,2-Oxazol-4-yl)acetonitrile
CID 23006338
4-Isoxazolemethanamine
CID 10486803
4-(Trifluoromethyl)isoxazole
CID 53733448
4-Fluoroisoxazole
CID 54094083
4-Isoxazolecarbaldehyde oxime
CID 14738062
4-(Difluoromethyl)-1,2-oxazole
CID 105427152

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole-4-carbonitrile?
The IUPAC name of 1,2-oxazole-4-carbonitrile (CID 15590756) is 1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 1,2-oxazole-4-carbonitrile?
The canonical SMILES for 1,2-oxazole-4-carbonitrile is N#Cc1cnoc1.
What is the InChIKey of 1,2-oxazole-4-carbonitrile?
The InChIKey is ONJYXAHBSGPICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2O/c5-1-4-2-6-7-3-4/h2-3H.
What are the key properties of 1,2-oxazole-4-carbonitrile?
1,2-oxazole-4-carbonitrile has a molecular weight of 94.07 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 15590756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).