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

C12H10N2O — CID 121205126

IUPAC5-(2,5-dimethylphenyl)-1,3-oxazole-2-carbonitrile
SMILESCc1ccc(C)c(-c2cnc(C#N)o2)c1
InChIInChI=1S/C12H10N2O/c1-8-3-4-9(2)10(5-8)11-7-14-12(6-13)15-11/h3-5,7H,1-2H3
InChIKeyJFHAQODCMSSZLL-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.83
Rot. Bonds1

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

5-(2,5-dimethylphenyl)-1,3-oxazole-2-carbonitrile (PubChem CID 121205126) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-1,3-oxazole-2-carbonitrile.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-1,3-oxazole-2-carbonitrile
PubChem CID121205126
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name5-(2,5-dimethylphenyl)-1,3-oxazole-2-carbonitrile
SMILESCc1ccc(C)c(-c2cnc(C#N)o2)c1
InChIInChI=1S/C12H10N2O/c1-8-3-4-9(2)10(5-8)11-7-14-12(6-13)15-11/h3-5,7H,1-2H3
InChIKeyJFHAQODCMSSZLL-UHFFFAOYSA-N
XLogP2.83
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-1,3-oxazole-2-carbonitrile?
The IUPAC name of 5-(2,5-dimethylphenyl)-1,3-oxazole-2-carbonitrile (CID 121205126) is 5-(2,5-dimethylphenyl)-1,3-oxazole-2-carbonitrile.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-1,3-oxazole-2-carbonitrile?
The canonical SMILES for 5-(2,5-dimethylphenyl)-1,3-oxazole-2-carbonitrile is Cc1ccc(C)c(-c2cnc(C#N)o2)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-1,3-oxazole-2-carbonitrile?
The InChIKey is JFHAQODCMSSZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-8-3-4-9(2)10(5-8)11-7-14-12(6-13)15-11/h3-5,7H,1-2H3.
What are the key properties of 5-(2,5-dimethylphenyl)-1,3-oxazole-2-carbonitrile?
5-(2,5-dimethylphenyl)-1,3-oxazole-2-carbonitrile has a molecular weight of 198.22 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-1,3-oxazole-2-carbonitrile is sourced from PubChem (CID 121205126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).