3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile

C13H12N2O3 — CID 61230060

IUPAC3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile
SMILESCCOc1cc(C#N)ccc1OCc1cnoc1
InChIInChI=1S/C13H12N2O3/c1-2-16-13-5-10(6-14)3-4-12(13)17-8-11-7-15-18-9-11/h3-5,7,9H,2,8H2,1H3
InChIKeyZTZLQFAGWGOXOC-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.52
Rot. Bonds5

About 3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile

3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile (PubChem CID 61230060) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile
PubChem CID61230060
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile
SMILESCCOc1cc(C#N)ccc1OCc1cnoc1
InChIInChI=1S/C13H12N2O3/c1-2-16-13-5-10(6-14)3-4-12(13)17-8-11-7-15-18-9-11/h3-5,7,9H,2,8H2,1H3
InChIKeyZTZLQFAGWGOXOC-UHFFFAOYSA-N
XLogP2.52
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-(1,2-oxazol-4-ylmethoxy)benzonitrile
CID 61388584
3-ethoxy-4-[(1-ethylpyrazol-4-yl)methoxy]benzonitrile
CID 62127952
4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzonitrile
CID 115580571
3-ethoxy-4-[(4-iodophenyl)methoxy]benzonitrile
CID 60650936
4-[(4-bromophenyl)methoxy]-3-ethoxybenzonitrile
CID 22681511
3-ethoxy-4-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
CID 110005223
3-ethoxy-4-(trimethylsilylmethoxy)benzonitrile
CID 56529428
3-(1,2-oxazol-4-ylmethoxy)benzonitrile
CID 60871497
3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 47145059
4-[(5-bromo-2-pyridinyl)methoxy]-3-ethoxybenzonitrile
CID 104797266
4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide
CID 51263900
3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 60722210

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile?
The IUPAC name of 3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile (CID 61230060) is 3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile.
What is the SMILES notation for 3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile?
The canonical SMILES for 3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile is CCOc1cc(C#N)ccc1OCc1cnoc1.
What is the InChIKey of 3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile?
The InChIKey is ZTZLQFAGWGOXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-2-16-13-5-10(6-14)3-4-12(13)17-8-11-7-15-18-9-11/h3-5,7,9H,2,8H2,1H3.
What are the key properties of 3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile?
3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile has a molecular weight of 244.25 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile is sourced from PubChem (CID 61230060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).