5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile

C13H12N2O2 — CID 116858882

IUPAC5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile
SMILESCCc1ccc(OC)c(-c2cc(C#N)no2)c1
InChIInChI=1S/C13H12N2O2/c1-3-9-4-5-12(16-2)11(6-9)13-7-10(8-14)15-17-13/h4-7H,3H2,1-2H3
InChIKeyQXYABNWSYTXODY-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.78
Rot. Bonds3

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

5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile (PubChem CID 116858882) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile.

Molecular Properties

Compound Name5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile
PubChem CID116858882
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile
SMILESCCc1ccc(OC)c(-c2cc(C#N)no2)c1
InChIInChI=1S/C13H12N2O2/c1-3-9-4-5-12(16-2)11(6-9)13-7-10(8-14)15-17-13/h4-7H,3H2,1-2H3
InChIKeyQXYABNWSYTXODY-UHFFFAOYSA-N
XLogP2.78
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 116858945
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carbonitrile
CID 116858895
5-(4-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carbonitrile
CID 116858956
[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82475517
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303
5-(3-chloro-4-ethoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 116858887
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
[2-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-4-yl]methanethiol
CID 116889475
5-(2-methoxy-5-pentan-3-ylphenyl)-1,2-oxazol-3-amine
CID 117405267
2-(5-ethyl-2-methoxyphenyl)thiophene
CID 20651347
5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole
CID 116869035
(5-ethyl-2-methoxyphenyl)iminoazanium
CID 18737677

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile?
The IUPAC name of 5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile (CID 116858882) is 5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile.
What is the SMILES notation for 5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile?
The canonical SMILES for 5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile is CCc1ccc(OC)c(-c2cc(C#N)no2)c1.
What is the InChIKey of 5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile?
The InChIKey is QXYABNWSYTXODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-3-9-4-5-12(16-2)11(6-9)13-7-10(8-14)15-17-13/h4-7H,3H2,1-2H3.
What are the key properties of 5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile?
5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile is sourced from PubChem (CID 116858882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).