3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile

C10H4Cl2N2O — CID 1154158

IUPAC3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile
SMILESN#Cc1cc(-c2cccc(Cl)c2Cl)no1
InChIInChI=1S/C10H4Cl2N2O/c11-8-3-1-2-7(10(8)12)9-4-6(5-13)15-14-9/h1-4H
InChIKeyXKUVLARNPMDYRN-UHFFFAOYSA-N
MW239.06 g/mol
LogP3.52
Rot. Bonds1

About 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile

3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile (PubChem CID 1154158) has the molecular formula C10H4Cl2N2O and a molecular weight of 239.06 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile
PubChem CID1154158
Molecular FormulaC10H4Cl2N2O
Molecular Weight239.06 g/mol
Exact Mass237.97
IUPAC Name3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile
SMILESN#Cc1cc(-c2cccc(Cl)c2Cl)no1
InChIInChI=1S/C10H4Cl2N2O/c11-8-3-1-2-7(10(8)12)9-4-6(5-13)15-14-9/h1-4H
InChIKeyXKUVLARNPMDYRN-UHFFFAOYSA-N
XLogP3.52
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile?
The IUPAC name of 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile (CID 1154158) is 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile is N#Cc1cc(-c2cccc(Cl)c2Cl)no1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile?
The InChIKey is XKUVLARNPMDYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2N2O/c11-8-3-1-2-7(10(8)12)9-4-6(5-13)15-14-9/h1-4H.
What are the key properties of 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile?
3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile has a molecular weight of 239.06 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile is sourced from PubChem (CID 1154158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).