3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole

C14H17ClN4O — CID 51593014

IUPAC3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESC[C@H]1CCCCN1Cc1nc(-c2cccnc2Cl)no1
InChIInChI=1S/C14H17ClN4O/c1-10-5-2-3-8-19(10)9-12-17-14(18-20-12)11-6-4-7-16-13(11)15/h4,6-7,10H,2-3,5,8-9H2,1H3/t10-/m0/s1
InChIKeyZEMSKFSGTAUIPT-JTQLQIEISA-N
MW292.77 g/mol
LogP3.16
Rot. Bonds3

About 3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole

3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 51593014) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID51593014
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESC[C@H]1CCCCN1Cc1nc(-c2cccnc2Cl)no1
InChIInChI=1S/C14H17ClN4O/c1-10-5-2-3-8-19(10)9-12-17-14(18-20-12)11-6-4-7-16-13(11)15/h4,6-7,10H,2-3,5,8-9H2,1H3/t10-/m0/s1
InChIKeyZEMSKFSGTAUIPT-JTQLQIEISA-N
XLogP3.16
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

(4R,4aS,8aS)-1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol
CID 51689893
5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51924350
(4R,4aR,8aS)-1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 124764224
5-[(2-methylpiperidin-1-yl)methyl]-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazole
CID 46923436
3-(2-methoxy-4-pyridinyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 99789838
4-[[1-[[3-(2-chloro-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methyl]morpholine;hydrochloride
CID 171669080
N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 95100369
3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 94181815
3-(2-cyclohexyloxy-3-pyridinyl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 92591772
5-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 45219769
3-ethyl-5-[(2S)-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110626
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 82713825

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 51593014) is 3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole is C[C@H]1CCCCN1Cc1nc(-c2cccnc2Cl)no1.
What is the InChIKey of 3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ZEMSKFSGTAUIPT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-10-5-2-3-8-19(10)9-12-17-14(18-20-12)11-6-4-7-16-13(11)15/h4,6-7,10H,2-3,5,8-9H2,1H3/t10-/m0/s1.
What are the key properties of 3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 292.77 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-pyridinyl)-5-[[(2S)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 51593014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).