(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine

C6H11N3O — CID 93243352

IUPAC(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCC[C@H](N)c1noc(C)n1
InChIInChI=1S/C6H11N3O/c1-3-5(7)6-8-4(2)10-9-6/h5H,3,7H2,1-2H3/t5-/m0/s1
InChIKeyWODSLBSTESLUBC-YFKPBYRVSA-N
MW141.17 g/mol
LogP0.79
Rot. Bonds2

About (1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine

(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine (PubChem CID 93243352) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
PubChem CID93243352
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCC[C@H](N)c1noc(C)n1
InChIInChI=1S/C6H11N3O/c1-3-5(7)6-8-4(2)10-9-6/h5H,3,7H2,1-2H3/t5-/m0/s1
InChIKeyWODSLBSTESLUBC-YFKPBYRVSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 102547892
2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 82413784
5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole
CID 91277135
1-(5-methyl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 104635946
N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 130626350
1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325212
1-(5-phenyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 14024498
5-methyl-3-propan-2-yl-1,2,4-oxadiazole
CID 18785175
1-[5-(5-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325210
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326658
1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61323572
1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine
CID 174898965

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The IUPAC name of (1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine (CID 93243352) is (1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine is CC[C@H](N)c1noc(C)n1.
What is the InChIKey of (1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The InChIKey is WODSLBSTESLUBC-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3-5(7)6-8-4(2)10-9-6/h5H,3,7H2,1-2H3/t5-/m0/s1.
What are the key properties of (1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine?
(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine has a molecular weight of 141.17 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine is sourced from PubChem (CID 93243352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).