1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

C8H13N3O3 — CID 62803519

IUPAC1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(C2COCCO2)o1
InChIInChI=1S/C8H13N3O3/c1-9-4-7-10-11-8(14-7)6-5-12-2-3-13-6/h6,9H,2-5H2,1H3
InChIKeyJOUQBNIHJWEIGF-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.12
Rot. Bonds3

About 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 62803519) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID62803519
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(C2COCCO2)o1
InChIInChI=1S/C8H13N3O3/c1-9-4-7-10-11-8(14-7)6-5-12-2-3-13-6/h6,9H,2-5H2,1H3
InChIKeyJOUQBNIHJWEIGF-UHFFFAOYSA-N
XLogP-0.12
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 62805639
1-[5-(2-adamantyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 81095790
2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62213585
1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106969411
N-[[5-(3-methyloxan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 114241670
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolane-3-carboxamide
CID 122560083
1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962753
1-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138099
N-methyl-2-[5-(5-methyloxolan-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 81327288
3-[5-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 62803868
2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 126990027
N-(3,5-dimethylcyclohexyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106962276

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 62803519) is 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(C2COCCO2)o1.
What is the InChIKey of 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is JOUQBNIHJWEIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-9-4-7-10-11-8(14-7)6-5-12-2-3-13-6/h6,9H,2-5H2,1H3.
What are the key properties of 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 199.21 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62803519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).