4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile

C11H7ClN2O2 — CID 82373262

IUPAC4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile
SMILESCOc1ccc(-c2onc(C#N)c2Cl)cc1
InChIInChI=1S/C11H7ClN2O2/c1-15-8-4-2-7(3-5-8)11-10(12)9(6-13)14-16-11/h2-5H,1H3
InChIKeyJCJYKCLCCGBNBL-UHFFFAOYSA-N
MW234.64 g/mol
LogP2.88
Rot. Bonds2

About 4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile

4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile (PubChem CID 82373262) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile
PubChem CID82373262
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile
SMILESCOc1ccc(-c2onc(C#N)c2Cl)cc1
InChIInChI=1S/C11H7ClN2O2/c1-15-8-4-2-7(3-5-8)11-10(12)9(6-13)14-16-11/h2-5H,1H3
InChIKeyJCJYKCLCCGBNBL-UHFFFAOYSA-N
XLogP2.88
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile?
The IUPAC name of 4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile (CID 82373262) is 4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile.
What is the SMILES notation for 4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile?
The canonical SMILES for 4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile is COc1ccc(-c2onc(C#N)c2Cl)cc1.
What is the InChIKey of 4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile?
The InChIKey is JCJYKCLCCGBNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c1-15-8-4-2-7(3-5-8)11-10(12)9(6-13)14-16-11/h2-5H,1H3.
What are the key properties of 4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile?
4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile has a molecular weight of 234.64 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile is sourced from PubChem (CID 82373262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).