4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile

C14H15N3O2 — CID 65454488

IUPAC4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile
SMILESCCc1nnc(COc2c(C)cc(C#N)cc2C)o1
InChIInChI=1S/C14H15N3O2/c1-4-12-16-17-13(19-12)8-18-14-9(2)5-11(7-15)6-10(14)3/h5-6H,4,8H2,1-3H3
InChIKeyQWKQEBJJDFLURM-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.70
Rot. Bonds4

About 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile

4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile (PubChem CID 65454488) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile.

Molecular Properties

Compound Name4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile
PubChem CID65454488
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile
SMILESCCc1nnc(COc2c(C)cc(C#N)cc2C)o1
InChIInChI=1S/C14H15N3O2/c1-4-12-16-17-13(19-12)8-18-14-9(2)5-11(7-15)6-10(14)3/h5-6H,4,8H2,1-3H3
InChIKeyQWKQEBJJDFLURM-UHFFFAOYSA-N
XLogP2.70
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile 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

4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467823
[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine
CID 112619707
3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzonitrile
CID 65472094
1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 112608449
4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65470169
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65477803
3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile
CID 82866204
3,5-dimethyl-4-trimethylsilyloxybenzonitrile
CID 167714450
3,5-dimethyl-4-(2-methylpropoxy)benzonitrile
CID 65454303
4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
CID 79245492
4-[(2-chloro-3-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
CID 65472278
3,5-dimethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methoxy]benzonitrile
CID 80664092

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile?
The IUPAC name of 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile (CID 65454488) is 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile.
What is the SMILES notation for 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile?
The canonical SMILES for 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile is CCc1nnc(COc2c(C)cc(C#N)cc2C)o1.
What is the InChIKey of 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile?
The InChIKey is QWKQEBJJDFLURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-4-12-16-17-13(19-12)8-18-14-9(2)5-11(7-15)6-10(14)3/h5-6H,4,8H2,1-3H3.
What are the key properties of 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile?
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile has a molecular weight of 257.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile is sourced from PubChem (CID 65454488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).