4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile

C13H7N3OS — CID 2742518

IUPAC4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc(-c3ccno3)n2)cc1
InChIInChI=1S/C13H7N3OS/c14-7-9-1-3-10(4-2-9)11-8-18-13(16-11)12-5-6-15-17-12/h1-6,8H
InChIKeyVZBBRNPBKJUAGB-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.34
Rot. Bonds2

About 4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile

4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile (PubChem CID 2742518) has the molecular formula C13H7N3OS and a molecular weight of 253.29 g/mol. Its IUPAC name is 4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile
PubChem CID2742518
Molecular FormulaC13H7N3OS
Molecular Weight253.29 g/mol
Exact Mass253.03
IUPAC Name4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2csc(-c3ccno3)n2)cc1
InChIInChI=1S/C13H7N3OS/c14-7-9-1-3-10(4-2-9)11-8-18-13(16-11)12-5-6-15-17-12/h1-6,8H
InChIKeyVZBBRNPBKJUAGB-UHFFFAOYSA-N
XLogP3.34
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile (CID 2742518) is 4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile is N#Cc1ccc(-c2csc(-c3ccno3)n2)cc1.
What is the InChIKey of 4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is VZBBRNPBKJUAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3OS/c14-7-9-1-3-10(4-2-9)11-8-18-13(16-11)12-5-6-15-17-12/h1-6,8H.
What are the key properties of 4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile?
4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 253.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2-oxazol-5-yl)-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 2742518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).