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

C15H11N3O3S — CID 8978525

IUPAC3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
SMILESCOc1cc(C#N)ccc1OCc1nc(-c2ccsc2)no1
InChIInChI=1S/C15H11N3O3S/c1-19-13-6-10(7-16)2-3-12(13)20-8-14-17-15(18-21-14)11-4-5-22-9-11/h2-6,9H,8H2,1H3
InChIKeyNCKWOUORVOAKQR-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.26
Rot. Bonds5

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

3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile (PubChem CID 8978525) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is 3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
PubChem CID8978525
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC Name3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
SMILESCOc1cc(C#N)ccc1OCc1nc(-c2ccsc2)no1
InChIInChI=1S/C15H11N3O3S/c1-19-13-6-10(7-16)2-3-12(13)20-8-14-17-15(18-21-14)11-4-5-22-9-11/h2-6,9H,8H2,1H3
InChIKeyNCKWOUORVOAKQR-UHFFFAOYSA-N
XLogP3.26
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile
CID 43646133
3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
CID 55510174
3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 47145059
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 54908982
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-(4-cyanophenoxy)propanoate
CID 8857153
4-[(4-cyano-2-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481463
3-methoxy-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 31434194
3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 60722210
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 113233875
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 32758594
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43214779
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile?
The IUPAC name of 3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile (CID 8978525) is 3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile.
What is the SMILES notation for 3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile?
The canonical SMILES for 3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile is COc1cc(C#N)ccc1OCc1nc(-c2ccsc2)no1.
What is the InChIKey of 3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile?
The InChIKey is NCKWOUORVOAKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c1-19-13-6-10(7-16)2-3-12(13)20-8-14-17-15(18-21-14)11-4-5-22-9-11/h2-6,9H,8H2,1H3.
What are the key properties of 3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile?
3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile has a molecular weight of 313.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile is sourced from PubChem (CID 8978525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).