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

C10H19N3O2 — CID 63350605

IUPAC1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1nc(COC)no1)C(C)C
InChIInChI=1S/C10H19N3O2/c1-7(2)8(11-3)5-10-12-9(6-14-4)13-15-10/h7-8,11H,5-6H2,1-4H3
InChIKeyQYQOSOQEGUVMTD-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.00
Rot. Bonds6

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

1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine (PubChem CID 63350605) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
PubChem CID63350605
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1nc(COC)no1)C(C)C
InChIInChI=1S/C10H19N3O2/c1-7(2)8(11-3)5-10-12-9(6-14-4)13-15-10/h7-8,11H,5-6H2,1-4H3
InChIKeyQYQOSOQEGUVMTD-UHFFFAOYSA-N
XLogP1.00
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63349559
N,N-dimethyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116799824
N-ethyl-3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350659
N,3-dimethyl-1-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65143180
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350604
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 116781216
4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104503164
N-ethyl-N-methyl-5-[3-methyl-2-(methylamino)butyl]-1,2,4-oxadiazol-3-amine
CID 116809385
1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 106793440
N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347349
N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62341796
methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474749

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine (CID 63350605) is 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine is CNC(Cc1nc(COC)no1)C(C)C.
What is the InChIKey of 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine?
The InChIKey is QYQOSOQEGUVMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(2)8(11-3)5-10-12-9(6-14-4)13-15-10/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine?
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine has a molecular weight of 213.28 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 63350605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).