(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine

C6H11N3O — CID 82418105

IUPAC(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)[C@H](N)c1ncno1
InChIInChI=1S/C6H11N3O/c1-4(2)5(7)6-8-3-9-10-6/h3-5H,7H2,1-2H3/t5-/m0/s1
InChIKeyFAAFGUIXZJXZDZ-YFKPBYRVSA-N
MW141.17 g/mol
LogP0.73
Rot. Bonds2

About (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine

(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 82418105) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID82418105
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)[C@H](N)c1ncno1
InChIInChI=1S/C6H11N3O/c1-4(2)5(7)6-8-3-9-10-6/h3-5H,7H2,1-2H3/t5-/m0/s1
InChIKeyFAAFGUIXZJXZDZ-YFKPBYRVSA-N
XLogP0.73
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine
CID 28924821
(1S,2S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 82416346
(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 102993814
cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole
CID 162280781
3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 131081533
2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol
CID 82234828
1-(1,2,4-oxadiazol-5-yl)propan-2-amine
CID 82234832
2-(1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 102993784
(1R)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93298235
(1S)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 29274008
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine
CID 169145727

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine (CID 82418105) is (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine is CC(C)[C@H](N)c1ncno1.
What is the InChIKey of (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is FAAFGUIXZJXZDZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4(2)5(7)6-8-3-9-10-6/h3-5H,7H2,1-2H3/t5-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine?
(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 141.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 82418105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).