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

C11H15N5O — CID 103832881

IUPAC(1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCC[C@H](C)[C@H](N)c1nc(-c2cnccn2)no1
InChIInChI=1S/C11H15N5O/c1-3-7(2)9(12)11-15-10(16-17-11)8-6-13-4-5-14-8/h4-7,9H,3,12H2,1-2H3/t7-,9-/m0/s1
InChIKeyMVGSKPGCXYSHJA-CBAPKCEASA-N
MW233.27 g/mol
LogP1.57
Rot. Bonds4

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

(1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 103832881) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is (1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name(1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID103832881
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name(1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCC[C@H](C)[C@H](N)c1nc(-c2cnccn2)no1
InChIInChI=1S/C11H15N5O/c1-3-7(2)9(12)11-15-10(16-17-11)8-6-13-4-5-14-8/h4-7,9H,3,12H2,1-2H3/t7-,9-/m0/s1
InChIKeyMVGSKPGCXYSHJA-CBAPKCEASA-N
XLogP1.57
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93298235
1-amino-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 43807265
5-(1-bromopropyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 62854732
2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43622133
2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol
CID 55221009
ethyl 2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 79474428
(1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900256
N-ethyl-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62851367
(1S,2S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 29047795
(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-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900335
2-methyl-1-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65196341

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of (1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 103832881) is (1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for (1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for (1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is CC[C@H](C)[C@H](N)c1nc(-c2cnccn2)no1.
What is the InChIKey of (1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is MVGSKPGCXYSHJA-CBAPKCEASA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-7(2)9(12)11-15-10(16-17-11)8-6-13-4-5-14-8/h4-7,9H,3,12H2,1-2H3/t7-,9-/m0/s1.
What are the key properties of (1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
(1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 233.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 103832881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).