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

C11H20N2O4 — CID 55243254

IUPAC5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole
SMILESCCCOCc1noc(C(OCC)OCC)n1
InChIInChI=1S/C11H20N2O4/c1-4-7-14-8-9-12-10(17-13-9)11(15-5-2)16-6-3/h11H,4-8H2,1-3H3
InChIKeyNQTYFSFFSNWMEW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.07
Rot. Bonds9

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

5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole (PubChem CID 55243254) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole
PubChem CID55243254
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole
SMILESCCCOCc1noc(C(OCC)OCC)n1
InChIInChI=1S/C11H20N2O4/c1-4-7-14-8-9-12-10(17-13-9)11(15-5-2)16-6-3/h11H,4-8H2,1-3H3
InChIKeyNQTYFSFFSNWMEW-UHFFFAOYSA-N
XLogP2.07
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(diethoxymethyl)-3-ethyl-1,2,4-oxadiazole
CID 63772870
(1S)-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880958
5-(diethoxymethyl)-3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103150936
cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 62696516
3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350881
3-phenyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 114917967
5-(diethoxymethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 55243059
3-butan-2-yl-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63771158
3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594300
5-(diethoxymethyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
CID 63771839
5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 79605448
3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine
CID 62342821

Frequently Asked Questions

What is the IUPAC name of 5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole (CID 55243254) is 5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole is CCCOCc1noc(C(OCC)OCC)n1.
What is the InChIKey of 5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole?
The InChIKey is NQTYFSFFSNWMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-4-7-14-8-9-12-10(17-13-9)11(15-5-2)16-6-3/h11H,4-8H2,1-3H3.
What are the key properties of 5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole?
5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole has a molecular weight of 244.29 g/mol, XLogP of 2.07, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 55243254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).