5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole

C15H20N2O4 — CID 106793354

IUPAC5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(-c2ccc(C)cc2OC)no1
InChIInChI=1S/C15H20N2O4/c1-5-19-15(20-6-2)14-16-13(17-21-14)11-8-7-10(3)9-12(11)18-4/h7-9,15H,5-6H2,1-4H3
InChIKeyCVNIVAJVFKOVCR-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.13
Rot. Bonds7

About 5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole

5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 106793354) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole
PubChem CID106793354
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(-c2ccc(C)cc2OC)no1
InChIInChI=1S/C15H20N2O4/c1-5-19-15(20-6-2)14-16-13(17-21-14)11-8-7-10(3)9-12(11)18-4/h7-9,15H,5-6H2,1-4H3
InChIKeyCVNIVAJVFKOVCR-UHFFFAOYSA-N
XLogP3.13
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine
CID 106789676
(1S,2S)-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 106789684
3-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 106789680
(1S)-2-amino-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 114007041
3-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 106793358
3-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 106793379
5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 63839306
5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 63773018
5-ethenyl-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 106789413
5-(diethoxymethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 63773042
N-ethyl-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 106793455
5-(1-bromopropyl)-3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 106818575

Frequently Asked Questions

What is the IUPAC name of 5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole (CID 106793354) is 5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole is CCOC(OCC)c1nc(-c2ccc(C)cc2OC)no1.
What is the InChIKey of 5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is CVNIVAJVFKOVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-5-19-15(20-6-2)14-16-13(17-21-14)11-8-7-10(3)9-12(11)18-4/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole?
5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 292.34 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 106793354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).