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

C9H17N3O3 — CID 79198074

IUPACN-(2-methoxyethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(C(C)(C)OC)no1
InChIInChI=1S/C9H17N3O3/c1-9(2,14-4)7-11-8(15-12-7)10-5-6-13-3/h5-6H2,1-4H3,(H,10,11,12)
InChIKeyDBHVEBDSSSHKMN-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.01
Rot. Bonds6

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

N-(2-methoxyethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 79198074) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-amine
PubChem CID79198074
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-(2-methoxyethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(C(C)(C)OC)no1
InChIInChI=1S/C9H17N3O3/c1-9(2,14-4)7-11-8(15-12-7)10-5-6-13-3/h5-6H2,1-4H3,(H,10,11,12)
InChIKeyDBHVEBDSSSHKMN-UHFFFAOYSA-N
XLogP1.01
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.01
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-amine (CID 79198074) is N-(2-methoxyethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-amine is COCCNc1nc(C(C)(C)OC)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is DBHVEBDSSSHKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-9(2,14-4)7-11-8(15-12-7)10-5-6-13-3/h5-6H2,1-4H3,(H,10,11,12).
What are the key properties of N-(2-methoxyethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-amine?
N-(2-methoxyethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 215.25 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 79198074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).