tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C19H24N4O3 — CID 11233605

IUPACtert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2noc(/C=C/c3cccnc3)n2)CC1
InChIInChI=1S/C19H24N4O3/c1-19(2,3)25-18(24)23-11-8-15(9-12-23)17-21-16(26-22-17)7-6-14-5-4-10-20-13-14/h4-7,10,13,15H,8-9,11-12H2,1-3H3/b7-6+
InChIKeyVVWLKMDRSBNNHM-VOTSOKGWSA-N
MW356.43 g/mol
LogP3.75
Rot. Bonds3

About tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 11233605) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID11233605
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nametert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2noc(/C=C/c3cccnc3)n2)CC1
InChIInChI=1S/C19H24N4O3/c1-19(2,3)25-18(24)23-11-8-15(9-12-23)17-21-16(26-22-17)7-6-14-5-4-10-20-13-14/h4-7,10,13,15H,8-9,11-12H2,1-3H3/b7-6+
InChIKeyVVWLKMDRSBNNHM-VOTSOKGWSA-N
XLogP3.75
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate
CID 66673641
tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate
CID 58393206
tert-butyl 4-[(S)-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methyl]piperidine-1-carboxylate
CID 139510091
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl 4-[5-(1-cyclobutyl-7-fluoroindazol-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 142520672
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-(2-phenylpyrazol-3-yl)piperidine-1-carboxylate
CID 122643880
tert-butyl 3-(2-pyridin-3-ylacetyl)pyrrolidine-1-carboxylate
CID 107092081
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 11233605) is tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2noc(/C=C/c3cccnc3)n2)CC1.
What is the InChIKey of tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is VVWLKMDRSBNNHM-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-19(2,3)25-18(24)23-11-8-15(9-12-23)17-21-16(26-22-17)7-6-14-5-4-10-20-13-14/h4-7,10,13,15H,8-9,11-12H2,1-3H3/b7-6+.
What are the key properties of tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 11233605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).