1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine

C8H15N3O2 — CID 62857091

IUPAC1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1nnc(COC)o1
InChIInChI=1S/C8H15N3O2/c1-4-6(9-2)8-11-10-7(13-8)5-12-3/h6,9H,4-5H2,1-3H3
InChIKeyYJTIGBDRTGHPJT-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.89
Rot. Bonds5

About 1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine

1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (PubChem CID 62857091) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
PubChem CID62857091
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1nnc(COC)o1
InChIInChI=1S/C8H15N3O2/c1-4-6(9-2)8-11-10-7(13-8)5-12-3/h6,9H,4-5H2,1-3H3
InChIKeyYJTIGBDRTGHPJT-UHFFFAOYSA-N
XLogP0.89
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859615
1-(5-heptyl-1,3,4-oxadiazol-2-yl)-N-methylpropan-1-amine
CID 62859102
1-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62859269
1-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62857445
1-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62858085
1-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55124209
N-methyl-1-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63190034
N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65216143
N-methyl-1-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63080882
N-methyl-1-[5-(2-methylcyclopropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859270
N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859100
1-[5-(4-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 114028151

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (CID 62857091) is 1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is CCC(NC)c1nnc(COC)o1.
What is the InChIKey of 1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is YJTIGBDRTGHPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-4-6(9-2)8-11-10-7(13-8)5-12-3/h6,9H,4-5H2,1-3H3.
What are the key properties of 1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 185.23 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 62857091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).