3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole

C14H18N4O — CID 164630613

IUPAC3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC[C@H]2c2cccnc2)n1
InChIInChI=1S/C14H18N4O/c1-10(2)13-16-14(19-17-13)18-8-4-6-12(18)11-5-3-7-15-9-11/h3,5,7,9-10,12H,4,6,8H2,1-2H3/t12-/m0/s1
InChIKeyQGJZXHQSIQECAA-LBPRGKRZSA-N
MW258.32 g/mol
LogP2.93
Rot. Bonds3

About 3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole

3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole (PubChem CID 164630613) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole
PubChem CID164630613
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC[C@H]2c2cccnc2)n1
InChIInChI=1S/C14H18N4O/c1-10(2)13-16-14(19-17-13)18-8-4-6-12(18)11-5-3-7-15-9-11/h3,5,7,9-10,12H,4,6,8H2,1-2H3/t12-/m0/s1
InChIKeyQGJZXHQSIQECAA-LBPRGKRZSA-N
XLogP2.93
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole 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

5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 5348455
3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-N,N-dimethyl-1,2,4-oxadiazol-5-amine
CID 56944031
5-[5-[1-(5-Pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66825947
((3S,4S)-3-phenyl-4-((4-(propyl(pyridin-2-yl)amino)piperidin-1-yl)methyl)pyrrolidin-1-yl)(pyrrolidin-1-yl)methanone
CID 505866
4-(3-Pyridin-4-yl-[1,2,4]oxadiazol-5-yl)-piperidine-1-carboxylic acid diisopropylamide
CID 654334
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylmethanamine
CID 16188589
5-[4-[[2-Fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]piperazin-1-yl]-3-methyl-1,2,4-oxadiazole
CID 56682644
US9670193, 29 N-(1-phenylethyl)-5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)pyridin-2-amine
CID 71577283
US11066396, Example 148
CID 132257873
US11066396, Example 151
CID 132258046
US11066396, Example 6
CID 132258196
US11066396, Example 150
CID 132258221

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole (CID 164630613) is 3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole is CC(C)c1noc(N2CCC[C@H]2c2cccnc2)n1.
What is the InChIKey of 3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is QGJZXHQSIQECAA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)13-16-14(19-17-13)18-8-4-6-12(18)11-5-3-7-15-9-11/h3,5,7,9-10,12H,4,6,8H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 258.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 164630613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).