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

C7H13N3O — CID 102993814

IUPAC(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC(C)[C@H](N)c1ncno1
InChIInChI=1S/C7H13N3O/c1-3-5(2)6(8)7-9-4-10-11-7/h4-6H,3,8H2,1-2H3/t5?,6-/m0/s1
InChIKeyBGWLJLNDWONGNX-GDVGLLTNSA-N
MW155.20 g/mol
LogP1.12
Rot. Bonds3

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

(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 102993814) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID102993814
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC(C)[C@H](N)c1ncno1
InChIInChI=1S/C7H13N3O/c1-3-5(2)6(8)7-9-4-10-11-7/h4-6H,3,8H2,1-2H3/t5?,6-/m0/s1
InChIKeyBGWLJLNDWONGNX-GDVGLLTNSA-N
XLogP1.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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)propan-1-amine
CID 82418105
(1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine
CID 28924821
2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43622133
(1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine
CID 166692011
2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol
CID 82234828
2-methyl-1-pyrimidin-5-ylbutan-1-amine
CID 63719075
5-(1-amino-2-methylbutyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115753218
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900222
3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 131081533
(1S)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104899989
(1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 103832881

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine (CID 102993814) is (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine is CCC(C)[C@H](N)c1ncno1.
What is the InChIKey of (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is BGWLJLNDWONGNX-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-5(2)6(8)7-9-4-10-11-7/h4-6H,3,8H2,1-2H3/t5?,6-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine?
(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 155.20 g/mol, XLogP of 1.12, 3 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)butan-1-amine is sourced from PubChem (CID 102993814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).