pyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate

C19H17ClN4O3 — CID 58270792

IUPACpyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
SMILESO=C(Oc1cccnc1)N1CCC(c2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C19H17ClN4O3/c20-15-5-3-13(4-6-15)17-22-23-18(27-17)14-7-10-24(11-8-14)19(25)26-16-2-1-9-21-12-16/h1-6,9,12,14H,7-8,10-11H2
InChIKeyLCXBIAOEIKAFRG-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.16
Rot. Bonds3

About pyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate

pyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate (PubChem CID 58270792) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is pyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
PubChem CID58270792
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Namepyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
SMILESO=C(Oc1cccnc1)N1CCC(c2nnc(-c3ccc(Cl)cc3)o2)CC1
InChIInChI=1S/C19H17ClN4O3/c20-15-5-3-13(4-6-15)17-22-23-18(27-17)14-7-10-24(11-8-14)19(25)26-16-2-1-9-21-12-16/h1-6,9,12,14H,7-8,10-11H2
InChIKeyLCXBIAOEIKAFRG-UHFFFAOYSA-N
XLogP4.16
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methylbenzenesulfonic acid;pyridin-3-yl 4-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 162328441
4-methylbenzenesulfonic acid;pyridin-3-yl 4-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 162311499
2-(4-chlorophenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137247
cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137840
1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 51137256
2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 165399699
pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137843
1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99963493
cyclopropyl-[4-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99963492
pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270813
[(3R)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 99963542
phenyl 4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]piperidine-1-carboxylate
CID 56682752

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of pyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate (CID 58270792) is pyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for pyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for pyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate is O=C(Oc1cccnc1)N1CCC(c2nnc(-c3ccc(Cl)cc3)o2)CC1.
What is the InChIKey of pyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate?
The InChIKey is LCXBIAOEIKAFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c20-15-5-3-13(4-6-15)17-22-23-18(27-17)14-7-10-24(11-8-14)19(25)26-16-2-1-9-21-12-16/h1-6,9,12,14H,7-8,10-11H2.
What are the key properties of pyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate?
pyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate has a molecular weight of 384.82 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58270792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).