3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile

C11H5N3O2 — CID 90693997

IUPAC3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(Oc2ncco2)c1C#N
InChIInChI=1S/C11H5N3O2/c12-6-8-2-1-3-10(9(8)7-13)16-11-14-4-5-15-11/h1-5H
InChIKeyJLVPGEWDEIAYAK-UHFFFAOYSA-N
MW211.18 g/mol
LogP2.21
Rot. Bonds2

About 3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile

3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile (PubChem CID 90693997) has the molecular formula C11H5N3O2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile
PubChem CID90693997
Molecular FormulaC11H5N3O2
Molecular Weight211.18 g/mol
Exact Mass211.04
IUPAC Name3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(Oc2ncco2)c1C#N
InChIInChI=1S/C11H5N3O2/c12-6-8-2-1-3-10(9(8)7-13)16-11-14-4-5-15-11/h1-5H
InChIKeyJLVPGEWDEIAYAK-UHFFFAOYSA-N
XLogP2.21
TPSA82.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile?
The IUPAC name of 3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile (CID 90693997) is 3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile is N#Cc1cccc(Oc2ncco2)c1C#N.
What is the InChIKey of 3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile?
The InChIKey is JLVPGEWDEIAYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N3O2/c12-6-8-2-1-3-10(9(8)7-13)16-11-14-4-5-15-11/h1-5H.
What are the key properties of 3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile?
3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile has a molecular weight of 211.18 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 90693997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).