4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile

C15H15N3O3 — CID 47502411

IUPAC4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile
SMILESCCOc1cc(C#N)ccc1OCc1nnc(C2CC2)o1
InChIInChI=1S/C15H15N3O3/c1-2-19-13-7-10(8-16)3-6-12(13)20-9-14-17-18-15(21-14)11-4-5-11/h3,6-7,11H,2,4-5,9H2,1H3
InChIKeyGEAHWVROLJXXSF-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.80
Rot. Bonds6

About 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile

4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile (PubChem CID 47502411) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile
PubChem CID47502411
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile
SMILESCCOc1cc(C#N)ccc1OCc1nnc(C2CC2)o1
InChIInChI=1S/C15H15N3O3/c1-2-19-13-7-10(8-16)3-6-12(13)20-9-14-17-18-15(21-14)11-4-5-11/h3,6-7,11H,2,4-5,9H2,1H3
InChIKeyGEAHWVROLJXXSF-UHFFFAOYSA-N
XLogP2.80
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 47145059
4-(1,3-benzoxazol-2-ylmethoxy)-3-ethoxybenzonitrile
CID 51228371
3-ethoxy-4-(trimethylsilylmethoxy)benzonitrile
CID 56529428
3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 60722210
3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile
CID 61230060
3-ethoxy-4-(oxolan-2-ylmethoxy)benzonitrile
CID 60657015
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467823
3-ethoxy-4-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
CID 166216900
3-ethoxy-4-[(4-iodophenyl)methoxy]benzonitrile
CID 60650936
3-ethoxy-4-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
CID 110005223
3-ethoxy-4-(4-methylcyclohexyl)oxybenzonitrile
CID 64749862
2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 5133168

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile?
The IUPAC name of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile (CID 47502411) is 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile.
What is the SMILES notation for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile?
The canonical SMILES for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile is CCOc1cc(C#N)ccc1OCc1nnc(C2CC2)o1.
What is the InChIKey of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile?
The InChIKey is GEAHWVROLJXXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-19-13-7-10(8-16)3-6-12(13)20-9-14-17-18-15(21-14)11-4-5-11/h3,6-7,11H,2,4-5,9H2,1H3.
What are the key properties of 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile?
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile has a molecular weight of 285.30 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile is sourced from PubChem (CID 47502411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).