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

C12H21N3O2 — CID 107565487

IUPAC(1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC[C@@H](N)c1nc(C2(C)CCCCO2)no1
InChIInChI=1S/C12H21N3O2/c1-3-6-9(13)10-14-11(15-17-10)12(2)7-4-5-8-16-12/h9H,3-8,13H2,1-2H3/t9-,12?/m1/s1
InChIKeyPLUOLFKIERXUQQ-PKEIRNPWSA-N
MW239.32 g/mol
LogP2.29
Rot. Bonds4

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

(1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 107565487) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID107565487
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC[C@@H](N)c1nc(C2(C)CCCCO2)no1
InChIInChI=1S/C12H21N3O2/c1-3-6-9(13)10-14-11(15-17-10)12(2)7-4-5-8-16-12/h9H,3-8,13H2,1-2H3/t9-,12?/m1/s1
InChIKeyPLUOLFKIERXUQQ-PKEIRNPWSA-N
XLogP2.29
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine with MolForge

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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
4-methoxy-1-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 81084550
3-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80689965
N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80681354
N-methyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80690087
2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 80683512
1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742107
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565318
N-ethyl-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 80680961
3-(2-methyloxan-2-yl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 80681808
(R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898719
5-[chloro(phenyl)methyl]-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 80691775

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of (1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 107565487) is (1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for (1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for (1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCC[C@@H](N)c1nc(C2(C)CCCCO2)no1.
What is the InChIKey of (1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is PLUOLFKIERXUQQ-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-6-9(13)10-14-11(15-17-10)12(2)7-4-5-8-16-12/h9H,3-8,13H2,1-2H3/t9-,12?/m1/s1.
What are the key properties of (1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
(1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 107565487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).