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

C9H17N3O2 — CID 63717997

IUPAC3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCCC(C)c1noc(NCCOC)n1
InChIInChI=1S/C9H17N3O2/c1-4-7(2)8-11-9(14-12-8)10-5-6-13-3/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeySOOGFWKMFHFEIE-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.64
Rot. Bonds6

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

3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 63717997) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
PubChem CID63717997
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCCC(C)c1noc(NCCOC)n1
InChIInChI=1S/C9H17N3O2/c1-4-7(2)8-11-9(14-12-8)10-5-6-13-3/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeySOOGFWKMFHFEIE-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
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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Related Compounds

3-(1-methoxyethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 79617105
N-ethyl-3-(1-methoxypropyl)-1,2,4-oxadiazol-5-amine
CID 116730899
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63717261
3-butan-2-yl-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63771158
N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
CID 83827200
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxypropan-2-ol
CID 63719467
N-(2-methoxyethyl)-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62596320
3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 65403682
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine
CID 103476522
N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 62595972
N-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-oxadiazol-5-amine
CID 62596162
3-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 62596316

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (CID 63717997) is 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is CCC(C)c1noc(NCCOC)n1.
What is the InChIKey of 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is SOOGFWKMFHFEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-4-7(2)8-11-9(14-12-8)10-5-6-13-3/h7H,4-6H2,1-3H3,(H,10,11,12).
What are the key properties of 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 199.25 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 63717997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).