N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine

C7H13N3O2 — CID 62338184

IUPACN-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine
SMILESCNCC(C)OCc1ncon1
InChIInChI=1S/C7H13N3O2/c1-6(3-8-2)11-4-7-9-5-12-10-7/h5-6,8H,3-4H2,1-2H3
InChIKeyWMMITIAXGLIBRP-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.19
Rot. Bonds5

About N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine

N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine (PubChem CID 62338184) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine
PubChem CID62338184
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC NameN-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine
SMILESCNCC(C)OCc1ncon1
InChIInChI=1S/C7H13N3O2/c1-6(3-8-2)11-4-7-9-5-12-10-7/h5-6,8H,3-4H2,1-2H3
InChIKeyWMMITIAXGLIBRP-UHFFFAOYSA-N
XLogP0.19
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine?
The IUPAC name of N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine (CID 62338184) is N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine?
The canonical SMILES for N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine is CNCC(C)OCc1ncon1.
What is the InChIKey of N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine?
The InChIKey is WMMITIAXGLIBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-6(3-8-2)11-4-7-9-5-12-10-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine?
N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine has a molecular weight of 171.20 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)propan-1-amine is sourced from PubChem (CID 62338184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).