3-(4-ethoxyphenyl)-1,2-oxazole-5-carbonitrile

C12H10N2O2 — CID 920301

IUPAC3-(4-ethoxyphenyl)-1,2-oxazole-5-carbonitrile
SMILESCCOc1ccc(-c2cc(C#N)on2)cc1
InChIInChI=1S/C12H10N2O2/c1-2-15-10-5-3-9(4-6-10)12-7-11(8-13)16-14-12/h3-7H,2H2,1H3
InChIKeyDETPOFCJFACYPW-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.61
Rot. Bonds3

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

3-(4-ethoxyphenyl)-1,2-oxazole-5-carbonitrile (PubChem CID 920301) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1,2-oxazole-5-carbonitrile.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1,2-oxazole-5-carbonitrile
PubChem CID920301
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-(4-ethoxyphenyl)-1,2-oxazole-5-carbonitrile
SMILESCCOc1ccc(-c2cc(C#N)on2)cc1
InChIInChI=1S/C12H10N2O2/c1-2-15-10-5-3-9(4-6-10)12-7-11(8-13)16-14-12/h3-7H,2H2,1H3
InChIKeyDETPOFCJFACYPW-UHFFFAOYSA-N
XLogP2.61
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1,2-oxazole-5-carbonitrile?
The IUPAC name of 3-(4-ethoxyphenyl)-1,2-oxazole-5-carbonitrile (CID 920301) is 3-(4-ethoxyphenyl)-1,2-oxazole-5-carbonitrile.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1,2-oxazole-5-carbonitrile?
The canonical SMILES for 3-(4-ethoxyphenyl)-1,2-oxazole-5-carbonitrile is CCOc1ccc(-c2cc(C#N)on2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1,2-oxazole-5-carbonitrile?
The InChIKey is DETPOFCJFACYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-2-15-10-5-3-9(4-6-10)12-7-11(8-13)16-14-12/h3-7H,2H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-1,2-oxazole-5-carbonitrile?
3-(4-ethoxyphenyl)-1,2-oxazole-5-carbonitrile has a molecular weight of 214.22 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1,2-oxazole-5-carbonitrile is sourced from PubChem (CID 920301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).