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

C9H17N3O2 — CID 62342821

IUPAC3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine
SMILESCC(C)c1nc(COCCCN)no1
InChIInChI=1S/C9H17N3O2/c1-7(2)9-11-8(12-14-9)6-13-5-3-4-10/h7H,3-6,10H2,1-2H3
InChIKeyWCWMBVHJFRENMC-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.06
Rot. Bonds6

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

3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine (PubChem CID 62342821) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine.

Molecular Properties

Compound Name3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine
PubChem CID62342821
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine
SMILESCC(C)c1nc(COCCCN)no1
InChIInChI=1S/C9H17N3O2/c1-7(2)9-11-8(12-14-9)6-13-5-3-4-10/h7H,3-6,10H2,1-2H3
InChIKeyWCWMBVHJFRENMC-UHFFFAOYSA-N
XLogP1.06
TPSA74.17 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 ≤ 51.06
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

(1S)-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880958
cyclopropyl-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 62696516
3-butyl-5-propan-2-yl-1,2,4-oxadiazole
CID 123624408
5-(diethoxymethyl)-3-(propoxymethyl)-1,2,4-oxadiazole
CID 55243254
2-[6-methyl-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine
CID 79169402
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933139
3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 104632648
3-[(3,5-dimethylphenoxy)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 63362112
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103146024
2-[5-fluoro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107700457
3-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103472728

Frequently Asked Questions

What is the IUPAC name of 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine?
The IUPAC name of 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine (CID 62342821) is 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine.
What is the SMILES notation for 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine?
The canonical SMILES for 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine is CC(C)c1nc(COCCCN)no1.
What is the InChIKey of 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine?
The InChIKey is WCWMBVHJFRENMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(2)9-11-8(12-14-9)6-13-5-3-4-10/h7H,3-6,10H2,1-2H3.
What are the key properties of 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine?
3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine has a molecular weight of 199.25 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]propan-1-amine is sourced from PubChem (CID 62342821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).