[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate

C21H29F3N4O6 — CID 11691672

IUPAC[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate
SMILESCC[C@H](NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1)C(=O)c1noc(C(F)(F)F)n1
InChIInChI=1S/C21H29F3N4O6/c1-2-14(16(29)17-26-19(34-27-17)21(22,23)24)25-20(31)33-15(12-13-6-4-3-5-7-13)18(30)28-8-10-32-11-9-28/h13-15H,2-12H2,1H3,(H,25,31)/t14-,15-/m0/s1
InChIKeyGHSGBOMSIBZVHD-GJZGRUSLSA-N
MW490.48 g/mol
LogP2.97
Rot. Bonds8

About [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate

[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate (PubChem CID 11691672) has the molecular formula C21H29F3N4O6 and a molecular weight of 490.48 g/mol. Its IUPAC name is [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Name[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate
PubChem CID11691672
Molecular FormulaC21H29F3N4O6
Molecular Weight490.48 g/mol
Exact Mass490.20
IUPAC Name[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate
SMILESCC[C@H](NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1)C(=O)c1noc(C(F)(F)F)n1
InChIInChI=1S/C21H29F3N4O6/c1-2-14(16(29)17-26-19(34-27-17)21(22,23)24)25-20(31)33-15(12-13-6-4-3-5-7-13)18(30)28-8-10-32-11-9-28/h13-15H,2-12H2,1H3,(H,25,31)/t14-,15-/m0/s1
InChIKeyGHSGBOMSIBZVHD-GJZGRUSLSA-N
XLogP2.97
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate?
The IUPAC name of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate (CID 11691672) is [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate.
What is the SMILES notation for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate?
The canonical SMILES for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate is CC[C@H](NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1)C(=O)c1noc(C(F)(F)F)n1.
What is the InChIKey of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate?
The InChIKey is GHSGBOMSIBZVHD-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H29F3N4O6/c1-2-14(16(29)17-26-19(34-27-17)21(22,23)24)25-20(31)33-15(12-13-6-4-3-5-7-13)18(30)28-8-10-32-11-9-28/h13-15H,2-12H2,1H3,(H,25,31)/t14-,15-/m0/s1.
What are the key properties of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate?
[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate has a molecular weight of 490.48 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]carbamate is sourced from PubChem (CID 11691672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).