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

C9H17N3O2 — CID 62595970

IUPACN-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(CC(C)C)no1
InChIInChI=1S/C9H17N3O2/c1-7(2)6-8-11-9(14-12-8)10-4-5-13-3/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeySSVAHTSTTXBEEA-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.33
Rot. Bonds6

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

N-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62595970) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
PubChem CID62595970
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(CC(C)C)no1
InChIInChI=1S/C9H17N3O2/c1-7(2)6-8-11-9(14-12-8)10-4-5-13-3/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeySSVAHTSTTXBEEA-UHFFFAOYSA-N
XLogP1.33
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methylpropyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine (CID 62595970) is N-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine is COCCNc1nc(CC(C)C)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is SSVAHTSTTXBEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(2)6-8-11-9(14-12-8)10-4-5-13-3/h7H,4-6H2,1-3H3,(H,10,11,12).
What are the key properties of N-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine?
N-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 199.25 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62595970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).