2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C10H19N3O2 — CID 115428076

IUPAC2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCCOCc1noc(C(C)(C)CN)n1
InChIInChI=1S/C10H19N3O2/c1-4-5-14-6-8-12-9(15-13-8)10(2,3)7-11/h4-7,11H2,1-3H3
InChIKeyWYDKGLXTVWHDTO-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.23
Rot. Bonds6

About 2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 115428076) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID115428076
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCCOCc1noc(C(C)(C)CN)n1
InChIInChI=1S/C10H19N3O2/c1-4-5-14-6-8-12-9(15-13-8)10(2,3)7-11/h4-7,11H2,1-3H3
InChIKeyWYDKGLXTVWHDTO-UHFFFAOYSA-N
XLogP1.23
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.23
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

[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 62677703
3-(propoxymethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594300
4,4-dimethyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 113496840
(1S)-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880958
ethyl 2-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanoate
CID 79472010
5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole
CID 55243254
2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 113308031
cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 62696516
2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 102926485
2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 115428079
2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 115428146
2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 115428140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 115428076) is 2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCCOCc1noc(C(C)(C)CN)n1.
What is the InChIKey of 2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is WYDKGLXTVWHDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-5-14-6-8-12-9(15-13-8)10(2,3)7-11/h4-7,11H2,1-3H3.
What are the key properties of 2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115428076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).