1,2-oxazol-3-olate

C3H2NO2- — CID 20698734

IUPAC1,2-oxazol-3-olate
SMILES[O-]c1ccon1
InChIInChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)/p-1
InChIKeyFUOSTELFLYZQCW-UHFFFAOYSA-M
MW84.05 g/mol
LogP-0.25
Rot. Bonds

About 1,2-oxazol-3-olate

1,2-oxazol-3-olate (PubChem CID 20698734) has the molecular formula C3H2NO2- and a molecular weight of 84.05 g/mol. Its IUPAC name is 1,2-oxazol-3-olate.

Molecular Properties

Compound Name1,2-oxazol-3-olate
PubChem CID20698734
Molecular FormulaC3H2NO2-
Molecular Weight84.05 g/mol
Exact Mass84.01
IUPAC Name1,2-oxazol-3-olate
SMILES[O-]c1ccon1
InChIInChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)/p-1
InChIKeyFUOSTELFLYZQCW-UHFFFAOYSA-M
XLogP-0.25
TPSA49.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.05
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phosphorothioic acid, O,O-diethyl O-(3-isoxazolyl) ester
CID 205847
Fluoroisoxazole
CID 68209726
Isoxazolmethylat
CID 13933900
Iodoisoxazole
CID 69119915
Isoxazole nitrate
CID 129686334
Nitrosoisoxazole
CID 129798591
3-(Difluoromethoxy)-1,2-oxazole
CID 75525585
3-(Trifluoromethoxy)-1,2-oxazole
CID 123844059
3-(Fluoromethoxy)-1,2-oxazole
CID 142660611
1,2-Oxazol-3-yl trifluoromethanesulfonate
CID 154289043
Silyl isoxazole
CID 22121125
Stannylisoxazole
CID 129794262

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-3-olate?
The IUPAC name of 1,2-oxazol-3-olate (CID 20698734) is 1,2-oxazol-3-olate.
What is the SMILES notation for 1,2-oxazol-3-olate?
The canonical SMILES for 1,2-oxazol-3-olate is [O-]c1ccon1.
What is the InChIKey of 1,2-oxazol-3-olate?
The InChIKey is FUOSTELFLYZQCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)/p-1.
What are the key properties of 1,2-oxazol-3-olate?
1,2-oxazol-3-olate has a molecular weight of 84.05 g/mol, XLogP of -0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-3-olate is sourced from PubChem (CID 20698734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).