3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C13H23N3O2 — CID 80689965

IUPAC3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC(C)C(CN)c1nc(C2(C)CCCCO2)no1
InChIInChI=1S/C13H23N3O2/c1-9(2)10(8-14)11-15-12(16-18-11)13(3)6-4-5-7-17-13/h9-10H,4-8,14H2,1-3H3
InChIKeyRYOXUJWLTINAGM-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.18
Rot. Bonds4

About 3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine

3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 80689965) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID80689965
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC(C)C(CN)c1nc(C2(C)CCCCO2)no1
InChIInChI=1S/C13H23N3O2/c1-9(2)10(8-14)11-15-12(16-18-11)13(3)6-4-5-7-17-13/h9-10H,4-8,14H2,1-3H3
InChIKeyRYOXUJWLTINAGM-UHFFFAOYSA-N
XLogP2.18
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80690086
2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 80683512
N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80690087
(1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565487
N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80681354
1,1,1-trifluoro-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 80681655
5-[chloro(phenyl)methyl]-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 80691775
4-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80681042
[4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440197
4-methoxy-1-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 81084550
(R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898719
3-(2-methyloxan-2-yl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983445

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 80689965) is 3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CC(C)C(CN)c1nc(C2(C)CCCCO2)no1.
What is the InChIKey of 3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is RYOXUJWLTINAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)10(8-14)11-15-12(16-18-11)13(3)6-4-5-7-17-13/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 80689965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).