(1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C13H18N4O — CID 107565519

IUPAC(1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC[C@H](N)c1nc(-c2ccncc2CC)no1
InChIInChI=1S/C13H18N4O/c1-3-5-11(14)13-16-12(17-18-13)10-6-7-15-8-9(10)4-2/h6-8,11H,3-5,14H2,1-2H3/t11-/m0/s1
InChIKeyDFIJSUKIPUDAAE-NSHDSACASA-N
MW246.31 g/mol
LogP2.49
Rot. Bonds5

About (1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

(1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 107565519) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID107565519
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCC[C@H](N)c1nc(-c2ccncc2CC)no1
InChIInChI=1S/C13H18N4O/c1-3-5-11(14)13-16-12(17-18-13)10-6-7-15-8-9(10)4-2/h6-8,11H,3-5,14H2,1-2H3/t11-/m0/s1
InChIKeyDFIJSUKIPUDAAE-NSHDSACASA-N
XLogP2.49
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[3-(3-ethyl-4-pyridinyl)-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

3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114007003
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630127
4-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 82689072
(1S)-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565554
(1S)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565281
1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630132
1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 114876517
1-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103442618
(1R)-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565672
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 81491985
2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436593
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832498

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of (1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 107565519) is (1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for (1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for (1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CCC[C@H](N)c1nc(-c2ccncc2CC)no1.
What is the InChIKey of (1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is DFIJSUKIPUDAAE-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-5-11(14)13-16-12(17-18-13)10-6-7-15-8-9(10)4-2/h6-8,11H,3-5,14H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
(1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 246.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 107565519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).