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

C14H18N2O3 — CID 63773018

IUPAC5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(-c2ccccc2C)no1
InChIInChI=1S/C14H18N2O3/c1-4-17-14(18-5-2)13-15-12(16-19-13)11-9-7-6-8-10(11)3/h6-9,14H,4-5H2,1-3H3
InChIKeyZYCGMFQDRFUSNV-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.12
Rot. Bonds6

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

5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 63773018) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID63773018
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(-c2ccccc2C)no1
InChIInChI=1S/C14H18N2O3/c1-4-17-14(18-5-2)13-15-12(16-19-13)11-9-7-6-8-10(11)3/h6-9,14H,4-5H2,1-3H3
InChIKeyZYCGMFQDRFUSNV-UHFFFAOYSA-N
XLogP3.12
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-methyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79481020
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347498
5-(diethoxymethyl)-3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole
CID 106793354
5-(diethoxymethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 63773042
3-(4-chlorophenyl)-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63773021
(1S)-2,2-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93057373
5-(diethoxymethyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 63839306
5-[(1S)-1-(2-methoxyethylsulfonyl)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 95904217
(R)-(2-chlorophenyl)-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107315425
(2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide
CID 97095296
5-(diethoxymethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65197961
5-[(1S)-1-(2,3-difluorophenoxy)ethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 95904228

Frequently Asked Questions

What is the IUPAC name of 5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 63773018) is 5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole is CCOC(OCC)c1nc(-c2ccccc2C)no1.
What is the InChIKey of 5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is ZYCGMFQDRFUSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-17-14(18-5-2)13-15-12(16-19-13)11-9-7-6-8-10(11)3/h6-9,14H,4-5H2,1-3H3.
What are the key properties of 5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 262.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63773018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).