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

C19H24ClN3O3 — CID 86629001

IUPACtert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H24ClN3O3/c1-19(2,3)26-18(24)23-11-5-4-6-15(23)12-16-21-22-17(25-16)13-7-9-14(20)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyHHHRYQFCEHITOT-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.72
Rot. Bonds3

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

tert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate (PubChem CID 86629001) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is tert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate
PubChem CID86629001
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Nametert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H24ClN3O3/c1-19(2,3)26-18(24)23-11-5-4-6-15(23)12-16-21-22-17(25-16)13-7-9-14(20)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3
InChIKeyHHHRYQFCEHITOT-UHFFFAOYSA-N
XLogP4.72
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate (CID 86629001) is tert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1Cc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of tert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate?
The InChIKey is HHHRYQFCEHITOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-19(2,3)26-18(24)23-11-5-4-6-15(23)12-16-21-22-17(25-16)13-7-9-14(20)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3.
What are the key properties of tert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate has a molecular weight of 377.87 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 86629001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).