[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]carbamate

C22H34N4O6 — CID 11568621

IUPAC[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]carbamate
SMILESCCc1nc(C(=O)[C@H](CC)NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)no1
InChIInChI=1S/C22H34N4O6/c1-3-16(19(27)20-24-18(4-2)32-25-20)23-22(29)31-17(14-15-8-6-5-7-9-15)21(28)26-10-12-30-13-11-26/h15-17H,3-14H2,1-2H3,(H,23,29)/t16-,17-/m0/s1
InChIKeyDETUWRIVFIFKMW-IRXDYDNUSA-N
MW450.54 g/mol
LogP2.52
Rot. Bonds9

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

[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]carbamate (PubChem CID 11568621) has the molecular formula C22H34N4O6 and a molecular weight of 450.54 g/mol. Its IUPAC name is [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]carbamate
PubChem CID11568621
Molecular FormulaC22H34N4O6
Molecular Weight450.54 g/mol
Exact Mass450.25
IUPAC Name[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]carbamate
SMILESCCc1nc(C(=O)[C@H](CC)NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)no1
InChIInChI=1S/C22H34N4O6/c1-3-16(19(27)20-24-18(4-2)32-25-20)23-22(29)31-17(14-15-8-6-5-7-9-15)21(28)26-10-12-30-13-11-26/h15-17H,3-14H2,1-2H3,(H,23,29)/t16-,17-/m0/s1
InChIKeyDETUWRIVFIFKMW-IRXDYDNUSA-N
XLogP2.52
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.52
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-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]carbamate?
The IUPAC name of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]carbamate (CID 11568621) is [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]carbamate is CCc1nc(C(=O)[C@H](CC)NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)no1.
What is the InChIKey of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]carbamate?
The InChIKey is DETUWRIVFIFKMW-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H34N4O6/c1-3-16(19(27)20-24-18(4-2)32-25-20)23-22(29)31-17(14-15-8-6-5-7-9-15)21(28)26-10-12-30-13-11-26/h15-17H,3-14H2,1-2H3,(H,23,29)/t16-,17-/m0/s1.
What are the key properties of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]carbamate?
[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]carbamate has a molecular weight of 450.54 g/mol, XLogP of 2.52, 9 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-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 11568621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).