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

C10H18N2O4 — CID 79605448

IUPAC5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(C(C)OC)no1
InChIInChI=1S/C10H18N2O4/c1-5-14-10(15-6-2)9-11-8(12-16-9)7(3)13-4/h7,10H,5-6H2,1-4H3
InChIKeyVUAGFHTVSPIFFZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.85
Rot. Bonds7

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

5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 79605448) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole
PubChem CID79605448
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole
SMILESCCOC(OCC)c1nc(C(C)OC)no1
InChIInChI=1S/C10H18N2O4/c1-5-14-10(15-6-2)9-11-8(12-16-9)7(3)13-4/h7,10H,5-6H2,1-4H3
InChIKeyVUAGFHTVSPIFFZ-UHFFFAOYSA-N
XLogP1.85
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.85
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

3-butan-2-yl-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63771158
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79604650
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900222
5-(diethoxymethyl)-3-ethyl-1,2,4-oxadiazole
CID 63772870
1-[5-(1-methoxyethyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096193
3-amino-3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79614154
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 64533837
6-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 65285400
3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 79617105
5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole
CID 55243254
5-(1-chloroethyl)-3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazole
CID 116701144
1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 95757338

Frequently Asked Questions

What is the IUPAC name of 5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole (CID 79605448) is 5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole is CCOC(OCC)c1nc(C(C)OC)no1.
What is the InChIKey of 5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is VUAGFHTVSPIFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-5-14-10(15-6-2)9-11-8(12-16-9)7(3)13-4/h7,10H,5-6H2,1-4H3.
What are the key properties of 5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole?
5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 230.26 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79605448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).