3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole

C14H14ClF3N4O — CID 95766117

IUPAC3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc([C@@H]2CCCN(c3ncc(C(F)(F)F)cc3Cl)C2)no1
InChIInChI=1S/C14H14ClF3N4O/c1-8-20-12(21-23-8)9-3-2-4-22(7-9)13-11(15)5-10(6-19-13)14(16,17)18/h5-6,9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyGUKBZZUIMPVIRY-SECBINFHSA-N
MW346.74 g/mol
LogP3.83
Rot. Bonds2

About 3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole

3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 95766117) has the molecular formula C14H14ClF3N4O and a molecular weight of 346.74 g/mol. Its IUPAC name is 3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID95766117
Molecular FormulaC14H14ClF3N4O
Molecular Weight346.74 g/mol
Exact Mass346.08
IUPAC Name3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc([C@@H]2CCCN(c3ncc(C(F)(F)F)cc3Cl)C2)no1
InChIInChI=1S/C14H14ClF3N4O/c1-8-20-12(21-23-8)9-3-2-4-22(7-9)13-11(15)5-10(6-19-13)14(16,17)18/h5-6,9H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyGUKBZZUIMPVIRY-SECBINFHSA-N
XLogP3.83
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.74
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 42956348
2-[3-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80673381
(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68801517
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 172904106
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride
CID 71643949
N-tert-butyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 166600949
5-chloro-6-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 95763138
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
CID 118249912
1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanone
CID 46492743
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 55064792
2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methoxy]pyrazine
CID 163354160
5-chloro-4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 162513974

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole (CID 95766117) is 3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole is Cc1nc([C@@H]2CCCN(c3ncc(C(F)(F)F)cc3Cl)C2)no1.
What is the InChIKey of 3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is GUKBZZUIMPVIRY-SECBINFHSA-N. The full InChI is InChI=1S/C14H14ClF3N4O/c1-8-20-12(21-23-8)9-3-2-4-22(7-9)13-11(15)5-10(6-19-13)14(16,17)18/h5-6,9H,2-4,7H2,1H3/t9-/m1/s1.
What are the key properties of 3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole?
3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 346.74 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 95766117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).