tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

C24H34FN3O3 — CID 55826643

IUPACtert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H34FN3O3/c1-17(2)28(23(29)31-24(3,4)5)14-18-7-6-12-27(13-18)15-21-16-30-22(26-21)19-8-10-20(25)11-9-19/h8-11,16-18H,6-7,12-15H2,1-5H3
InChIKeyXGVSKDARZBRMAW-UHFFFAOYSA-N
MW431.55 g/mol
LogP5.34
Rot. Bonds6

About tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 55826643) has the molecular formula C24H34FN3O3 and a molecular weight of 431.55 g/mol. Its IUPAC name is tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID55826643
Molecular FormulaC24H34FN3O3
Molecular Weight431.55 g/mol
Exact Mass431.26
IUPAC Nametert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H34FN3O3/c1-17(2)28(23(29)31-24(3,4)5)14-18-7-6-12-27(13-18)15-21-16-30-22(26-21)19-8-10-20(25)11-9-19/h8-11,16-18H,6-7,12-15H2,1-5H3
InChIKeyXGVSKDARZBRMAW-UHFFFAOYSA-N
XLogP5.34
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.55
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (CID 55826643) is tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is CC(C)N(CC1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is XGVSKDARZBRMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O3/c1-17(2)28(23(29)31-24(3,4)5)14-18-7-6-12-27(13-18)15-21-16-30-22(26-21)19-8-10-20(25)11-9-19/h8-11,16-18H,6-7,12-15H2,1-5H3.
What are the key properties of tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 431.55 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 55826643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).