3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine

C8H15N3O3 — CID 79617105

IUPAC3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(C(C)OC)no1
InChIInChI=1S/C8H15N3O3/c1-6(13-3)7-10-8(14-11-7)9-4-5-12-2/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyQSDMLLAGXOGJDT-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.84
Rot. Bonds6

About 3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine

3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 79617105) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
PubChem CID79617105
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(C(C)OC)no1
InChIInChI=1S/C8H15N3O3/c1-6(13-3)7-10-8(14-11-7)9-4-5-12-2/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyQSDMLLAGXOGJDT-UHFFFAOYSA-N
XLogP0.84
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 63717997
N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62596320
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79604650
1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 95757338
5-(diethoxymethyl)-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 79605448
N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine
CID 116730899
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine
CID 103476522
N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine
CID 62596162
N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 62595972
3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 62596316
N-(2-methoxyethyl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-amine
CID 113329658
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-N-propylbutan-2-amine
CID 79604811

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (CID 79617105) is 3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is COCCNc1nc(C(C)OC)no1.
What is the InChIKey of 3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is QSDMLLAGXOGJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-6(13-3)7-10-8(14-11-7)9-4-5-12-2/h6H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of 3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 201.23 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 79617105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).