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

C12H21N3O2 — CID 104904297

IUPAC(1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC(C)C[C@@H](N)c1nc(CC2CCOC2)no1
InChIInChI=1S/C12H21N3O2/c1-8(2)5-10(13)12-14-11(15-17-12)6-9-3-4-16-7-9/h8-10H,3-7,13H2,1-2H3/t9?,10-/m1/s1
InChIKeyZUFJBSFFELUCLD-QVDQXJPCSA-N
MW239.32 g/mol
LogP1.69
Rot. Bonds5

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

(1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 104904297) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name(1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID104904297
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC(C)C[C@@H](N)c1nc(CC2CCOC2)no1
InChIInChI=1S/C12H21N3O2/c1-8(2)5-10(13)12-14-11(15-17-12)6-9-3-4-16-7-9/h8-10H,3-7,13H2,1-2H3/t9?,10-/m1/s1
InChIKeyZUFJBSFFELUCLD-QVDQXJPCSA-N
XLogP1.69
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1R)-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915482
3-amino-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 103985762
4-[(2S)-2-amino-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905799
N-[1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 113362298
N-ethyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 113361978
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077373
N-ethyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103988151
3-methyl-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65329040
5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103985689
3-(oxolan-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 103987943
(1S)-3-methyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880721
N-methyl-2-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103985851

Frequently Asked Questions

What is the IUPAC name of (1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of (1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 104904297) is (1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for (1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for (1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CC(C)C[C@@H](N)c1nc(CC2CCOC2)no1.
What is the InChIKey of (1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is ZUFJBSFFELUCLD-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)5-10(13)12-14-11(15-17-12)6-9-3-4-16-7-9/h8-10H,3-7,13H2,1-2H3/t9?,10-/m1/s1.
What are the key properties of (1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
(1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-methyl-1-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 104904297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).