tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate

C23H32N4O5 — CID 58022723

IUPACtert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
SMILESCCCNC(=O)c1ccc(-c2nc(COC3CCN(C(=O)OC(C)(C)C)CC3)no2)cc1
InChIInChI=1S/C23H32N4O5/c1-5-12-24-20(28)16-6-8-17(9-7-16)21-25-19(26-32-21)15-30-18-10-13-27(14-11-18)22(29)31-23(2,3)4/h6-9,18H,5,10-15H2,1-4H3,(H,24,28)
InChIKeyLCWDEQBRAOUDLF-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.79
Rot. Bonds7

About tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate

tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate (PubChem CID 58022723) has the molecular formula C23H32N4O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
PubChem CID58022723
Molecular FormulaC23H32N4O5
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC Nametert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
SMILESCCCNC(=O)c1ccc(-c2nc(COC3CCN(C(=O)OC(C)(C)C)CC3)no2)cc1
InChIInChI=1S/C23H32N4O5/c1-5-12-24-20(28)16-6-8-17(9-7-16)21-25-19(26-32-21)15-30-18-10-13-27(14-11-18)22(29)31-23(2,3)4/h6-9,18H,5,10-15H2,1-4H3,(H,24,28)
InChIKeyLCWDEQBRAOUDLF-UHFFFAOYSA-N
XLogP3.79
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[[5-(4-aminophenyl)-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
CID 89127589
tert-butyl 4-[[5-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
CID 58022777
tert-butyl 4-[[5-(3-amino-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
CID 89127586
tert-butyl 4-[cyclopropyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
CID 118300916
2-[3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]-1,2,4-oxadiazol-5-yl]-1-benzofuran-5-sulfinic acid
CID 71228446
tert-butyl 4-[[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]methyl]piperidine-1-carboxylate
CID 138489818
tert-butyl 4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxylate
CID 173155736
tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 19796267
tert-butyl 4-[[3-(3-methoxy-4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate
CID 58022787
tert-butyl 4-[[3-(3-ethenyl-4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate;ethane
CID 143388078
tert-butyl 4-[N'-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111100338
tert-butyl 4-[[5-(2-methoxy-4-methylsulfinylcyclohexyl)-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
CID 143388143

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate (CID 58022723) is tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate is CCCNC(=O)c1ccc(-c2nc(COC3CCN(C(=O)OC(C)(C)C)CC3)no2)cc1.
What is the InChIKey of tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate?
The InChIKey is LCWDEQBRAOUDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5/c1-5-12-24-20(28)16-6-8-17(9-7-16)21-25-19(26-32-21)15-30-18-10-13-27(14-11-18)22(29)31-23(2,3)4/h6-9,18H,5,10-15H2,1-4H3,(H,24,28).
What are the key properties of tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate?
tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate has a molecular weight of 444.53 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-[4-(propylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 58022723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).