(1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine

C10H12N4O — CID 104899860

IUPAC(1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1cnccc1-c1noc([C@H](C)N)n1
InChIInChI=1S/C10H12N4O/c1-6-5-12-4-3-8(6)9-13-10(7(2)11)15-14-9/h3-5,7H,11H2,1-2H3/t7-/m0/s1
InChIKeyKXPPVSSTYCLKRQ-ZETCQYMHSA-N
MW204.23 g/mol
LogP1.46
Rot. Bonds2

About (1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine

(1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 104899860) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is (1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID104899860
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name(1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1cnccc1-c1noc([C@H](C)N)n1
InChIInChI=1S/C10H12N4O/c1-6-5-12-4-3-8(6)9-13-10(7(2)11)15-14-9/h3-5,7H,11H2,1-2H3/t7-/m0/s1
InChIKeyKXPPVSSTYCLKRQ-ZETCQYMHSA-N
XLogP1.46
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine 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

(S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898760
(1R)-1-[3-(2,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 96782248
1-amino-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 114876663
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788812
(1R)-1-[3-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899840
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62387398
2-methyl-3-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106526560
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008092
N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698932
(1S)-2,2-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93057373
3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983458
1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 114876517

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of (1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 104899860) is (1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine is Cc1cnccc1-c1noc([C@H](C)N)n1.
What is the InChIKey of (1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is KXPPVSSTYCLKRQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-5-12-4-3-8(6)9-13-10(7(2)11)15-14-9/h3-5,7H,11H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine?
(1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 204.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 104899860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).