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

C20H26N4O3 — CID 66673641

IUPACtert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2noc(C=Cc3cccnc3)n2)CC1
InChIInChI=1S/C20H26N4O3/c1-20(2,3)26-19(25)24-11-8-15(9-12-24)13-17-22-18(27-23-17)7-6-16-5-4-10-21-14-16/h4-7,10,14-15H,8-9,11-13H2,1-3H3
InChIKeySMNKSIVCXSHSSR-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.82
Rot. Bonds4

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

tert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate (PubChem CID 66673641) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is tert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate
PubChem CID66673641
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Nametert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2noc(C=Cc3cccnc3)n2)CC1
InChIInChI=1S/C20H26N4O3/c1-20(2,3)26-19(25)24-11-8-15(9-12-24)13-17-22-18(27-23-17)7-6-16-5-4-10-21-14-16/h4-7,10,14-15H,8-9,11-13H2,1-3H3
InChIKeySMNKSIVCXSHSSR-UHFFFAOYSA-N
XLogP3.82
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

tert-butyl 4-[5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 11233605
tert-butyl 4-hydroxy-4-[(E)-2-pyridin-3-ylethenyl]piperidine-1-carboxylate
CID 58393206
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299
tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate
CID 67271625
tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate
CID 66673725
tert-butyl 3-(2-pyridin-3-ylacetyl)pyrrolidine-1-carboxylate
CID 107092081
tert-butyl 4-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylate
CID 75526735
tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate
CID 75481386
tert-butyl 3-(pyridin-3-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629688
tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate
CID 69321662
tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
CID 174174191

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate (CID 66673641) is tert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cc2noc(C=Cc3cccnc3)n2)CC1.
What is the InChIKey of tert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate?
The InChIKey is SMNKSIVCXSHSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-20(2,3)26-19(25)24-11-8-15(9-12-24)13-17-22-18(27-23-17)7-6-16-5-4-10-21-14-16/h4-7,10,14-15H,8-9,11-13H2,1-3H3.
What are the key properties of tert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-(2-pyridin-3-ylethenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 66673641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).