3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile

C15H17N3O3 — CID 60722210

IUPAC3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
SMILESCCCc1noc(COc2ccc(C#N)cc2OCC)n1
InChIInChI=1S/C15H17N3O3/c1-3-5-14-17-15(21-18-14)10-20-12-7-6-11(9-16)8-13(12)19-4-2/h6-8H,3-5,10H2,1-2H3
InChIKeyQNLICQXIPUAVGU-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.87
Rot. Bonds7

About 3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile

3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile (PubChem CID 60722210) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
PubChem CID60722210
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
SMILESCCCc1noc(COc2ccc(C#N)cc2OCC)n1
InChIInChI=1S/C15H17N3O3/c1-3-5-14-17-15(21-18-14)10-20-12-7-6-11(9-16)8-13(12)19-4-2/h6-8H,3-5,10H2,1-2H3
InChIKeyQNLICQXIPUAVGU-UHFFFAOYSA-N
XLogP2.87
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.87
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
3-nitro-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 115595414
3-ethoxy-4-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
CID 166216900
5-bromo-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 80601584
3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
CID 55510174
4-chloro-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 80708725
4-(1,3-benzoxazol-2-ylmethoxy)-3-ethoxybenzonitrile
CID 51228371
3-ethoxy-4-(trimethylsilylmethoxy)benzonitrile
CID 56529428
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile
CID 47502411
3-ethoxy-4-(1,2-oxazol-4-ylmethoxy)benzonitrile
CID 61230060
N-methyl-1-[5-methyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 63322960
4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 60721889

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile?
The IUPAC name of 3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile (CID 60722210) is 3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile.
What is the SMILES notation for 3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile?
The canonical SMILES for 3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile is CCCc1noc(COc2ccc(C#N)cc2OCC)n1.
What is the InChIKey of 3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile?
The InChIKey is QNLICQXIPUAVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-5-14-17-15(21-18-14)10-20-12-7-6-11(9-16)8-13(12)19-4-2/h6-8H,3-5,10H2,1-2H3.
What are the key properties of 3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile?
3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile has a molecular weight of 287.32 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile is sourced from PubChem (CID 60722210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).