tert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate

C17H21FN4O3 — CID 66664074

IUPACtert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccccc2-c2noc(F)n2)CC1
InChIInChI=1S/C17H21FN4O3/c1-17(2,3)24-16(23)22-10-8-21(9-11-22)13-7-5-4-6-12(13)14-19-15(18)25-20-14/h4-7H,8-11H2,1-3H3
InChIKeyXDLZKXNPBBCRKE-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.93
Rot. Bonds2

About tert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate

tert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate (PubChem CID 66664074) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is tert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate
PubChem CID66664074
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Nametert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccccc2-c2noc(F)n2)CC1
InChIInChI=1S/C17H21FN4O3/c1-17(2,3)24-16(23)22-10-8-21(9-11-22)13-7-5-4-6-12(13)14-19-15(18)25-20-14/h4-7H,8-11H2,1-3H3
InChIKeyXDLZKXNPBBCRKE-UHFFFAOYSA-N
XLogP2.93
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[2-(2-fluoro-5H-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate
CID 87095870
tert-butyl 4-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxylate
CID 75526735
tert-butyl 4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate
CID 53396572
tert-butyl 4-[2-(2-fluorophenyl)-4-formylphenyl]piperazine-1-carboxylate
CID 164687506
2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 66765352
tert-butyl 4-(3-bromo-2-fluorophenyl)piperazine-1-carboxylate
CID 170163901
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 95929891
tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 70570904
tert-butyl 4-[2-[2-(4-fluorophenyl)-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]piperazine-1-carboxylate
CID 155595378
tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate
CID 133059522
tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate
CID 69243250

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate (CID 66664074) is tert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2noc(F)n2)CC1.
What is the InChIKey of tert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate?
The InChIKey is XDLZKXNPBBCRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-17(2,3)24-16(23)22-10-8-21(9-11-22)13-7-5-4-6-12(13)14-19-15(18)25-20-14/h4-7H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate has a molecular weight of 348.38 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(5-fluoro-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 66664074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).