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

C11H19N3O2 — CID 115078241

IUPACN-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCNCCCc1noc(CC2CCCO2)n1
InChIInChI=1S/C11H19N3O2/c1-12-6-2-5-10-13-11(16-14-10)8-9-4-3-7-15-9/h9,12H,2-8H2,1H3
InChIKeyLJZZGJXAGHDHGT-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.94
Rot. Bonds6

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

N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 115078241) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID115078241
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCNCCCc1noc(CC2CCCO2)n1
InChIInChI=1S/C11H19N3O2/c1-12-6-2-5-10-13-11(16-14-10)8-9-4-3-7-15-9/h9,12H,2-8H2,1H3
InChIKeyLJZZGJXAGHDHGT-UHFFFAOYSA-N
XLogP0.94
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.94
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-(chloromethyl)-5-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 65155797
N-methyl-3-[5-(thiolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078245
N-methyl-3-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078631
N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078191
N-methyl-3-[5-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115077404
5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 43513448
N-methyl-3-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090865
N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103985627
N-methyl-3-[5-[2-(oxan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63952195
2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 79219301
5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 65159319
3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 112571580

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 115078241) is N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CNCCCc1noc(CC2CCCO2)n1.
What is the InChIKey of N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is LJZZGJXAGHDHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-12-6-2-5-10-13-11(16-14-10)8-9-4-3-7-15-9/h9,12H,2-8H2,1H3.
What are the key properties of N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 225.29 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 115078241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).