[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]carbamate

C23H36N4O6 — CID 58458985

IUPAC[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]carbamate
SMILESCC[C@H](NC(=O)O[C@H](CC1CCCCC1)C(=O)N1CCOCC1)C(O)c1noc(C2CC2)n1
InChIInChI=1S/C23H36N4O6/c1-2-17(19(28)20-25-21(33-26-20)16-8-9-16)24-23(30)32-18(14-15-6-4-3-5-7-15)22(29)27-10-12-31-13-11-27/h15-19,28H,2-14H2,1H3,(H,24,30)/t17-,18+,19?/m0/s1
InChIKeyAIQMKXJVAZNEGA-PAMZHZACSA-N
MW464.56 g/mol
LogP2.68
Rot. Bonds9

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

[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]carbamate (PubChem CID 58458985) has the molecular formula C23H36N4O6 and a molecular weight of 464.56 g/mol. Its IUPAC name is [(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Name[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]carbamate
PubChem CID58458985
Molecular FormulaC23H36N4O6
Molecular Weight464.56 g/mol
Exact Mass464.26
IUPAC Name[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]carbamate
SMILESCC[C@H](NC(=O)O[C@H](CC1CCCCC1)C(=O)N1CCOCC1)C(O)c1noc(C2CC2)n1
InChIInChI=1S/C23H36N4O6/c1-2-17(19(28)20-25-21(33-26-20)16-8-9-16)24-23(30)32-18(14-15-6-4-3-5-7-15)22(29)27-10-12-31-13-11-27/h15-19,28H,2-14H2,1H3,(H,24,30)/t17-,18+,19?/m0/s1
InChIKeyAIQMKXJVAZNEGA-PAMZHZACSA-N
XLogP2.68
TPSA127.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]carbamate?
The IUPAC name of [(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]carbamate (CID 58458985) is [(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for [(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]carbamate?
The canonical SMILES for [(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]carbamate is CC[C@H](NC(=O)O[C@H](CC1CCCCC1)C(=O)N1CCOCC1)C(O)c1noc(C2CC2)n1.
What is the InChIKey of [(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]carbamate?
The InChIKey is AIQMKXJVAZNEGA-PAMZHZACSA-N. The full InChI is InChI=1S/C23H36N4O6/c1-2-17(19(28)20-25-21(33-26-20)16-8-9-16)24-23(30)32-18(14-15-6-4-3-5-7-15)22(29)27-10-12-31-13-11-27/h15-19,28H,2-14H2,1H3,(H,24,30)/t17-,18+,19?/m0/s1.
What are the key properties of [(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]carbamate?
[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]carbamate has a molecular weight of 464.56 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 58458985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).