3-(5-chloro-1,2-oxazol-3-yl)benzonitrile

C10H5ClN2O — CID 18612646

IUPAC3-(5-chloro-1,2-oxazol-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc(Cl)on2)c1
InChIInChI=1S/C10H5ClN2O/c11-10-5-9(13-14-10)8-3-1-2-7(4-8)6-12/h1-5H
InChIKeyAMWKBDDUEHDKCA-UHFFFAOYSA-N
MW204.62 g/mol
LogP2.87
Rot. Bonds1

About 3-(5-chloro-1,2-oxazol-3-yl)benzonitrile

3-(5-chloro-1,2-oxazol-3-yl)benzonitrile (PubChem CID 18612646) has the molecular formula C10H5ClN2O and a molecular weight of 204.62 g/mol. Its IUPAC name is 3-(5-chloro-1,2-oxazol-3-yl)benzonitrile.

Molecular Properties

Compound Name3-(5-chloro-1,2-oxazol-3-yl)benzonitrile
PubChem CID18612646
Molecular FormulaC10H5ClN2O
Molecular Weight204.62 g/mol
Exact Mass204.01
IUPAC Name3-(5-chloro-1,2-oxazol-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc(Cl)on2)c1
InChIInChI=1S/C10H5ClN2O/c11-10-5-9(13-14-10)8-3-1-2-7(4-8)6-12/h1-5H
InChIKeyAMWKBDDUEHDKCA-UHFFFAOYSA-N
XLogP2.87
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,2-oxazol-3-yl)benzonitrile?
The IUPAC name of 3-(5-chloro-1,2-oxazol-3-yl)benzonitrile (CID 18612646) is 3-(5-chloro-1,2-oxazol-3-yl)benzonitrile.
What is the SMILES notation for 3-(5-chloro-1,2-oxazol-3-yl)benzonitrile?
The canonical SMILES for 3-(5-chloro-1,2-oxazol-3-yl)benzonitrile is N#Cc1cccc(-c2cc(Cl)on2)c1.
What is the InChIKey of 3-(5-chloro-1,2-oxazol-3-yl)benzonitrile?
The InChIKey is AMWKBDDUEHDKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O/c11-10-5-9(13-14-10)8-3-1-2-7(4-8)6-12/h1-5H.
What are the key properties of 3-(5-chloro-1,2-oxazol-3-yl)benzonitrile?
3-(5-chloro-1,2-oxazol-3-yl)benzonitrile has a molecular weight of 204.62 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,2-oxazol-3-yl)benzonitrile is sourced from PubChem (CID 18612646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).