[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate

C24H30FN3O6 — CID 11598086

IUPAC[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1)C(=O)c1nc2cc(F)ccc2o1
InChIInChI=1S/C24H30FN3O6/c1-15(21(29)22-27-18-14-17(25)7-8-19(18)33-22)26-24(31)34-20(13-16-5-3-2-4-6-16)23(30)28-9-11-32-12-10-28/h7-8,14-16,20H,2-6,9-13H2,1H3,(H,26,31)/t15-,20-/m0/s1
InChIKeyZIIHQBWNLGYESG-YWZLYKJASA-N
MW475.52 g/mol
LogP3.46
Rot. Bonds7

About [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate

[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 11598086) has the molecular formula C24H30FN3O6 and a molecular weight of 475.52 g/mol. Its IUPAC name is [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
PubChem CID11598086
Molecular FormulaC24H30FN3O6
Molecular Weight475.52 g/mol
Exact Mass475.21
IUPAC Name[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
SMILESC[C@H](NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1)C(=O)c1nc2cc(F)ccc2o1
InChIInChI=1S/C24H30FN3O6/c1-15(21(29)22-27-18-14-17(25)7-8-19(18)33-22)26-24(31)34-20(13-16-5-3-2-4-6-16)23(30)28-9-11-32-12-10-28/h7-8,14-16,20H,2-6,9-13H2,1H3,(H,26,31)/t15-,20-/m0/s1
InChIKeyZIIHQBWNLGYESG-YWZLYKJASA-N
XLogP3.46
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
CID 67301124
[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]carbamate
CID 11670285
[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(7-fluoro-1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate
CID 58985087
(2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
CID 143134052
[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-hydroxypentan-2-yl]carbamate
CID 71081582
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[4-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)oxolan-3-yl]carbamate
CID 71029014
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) carbamate
CID 70335727
(2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 58649556
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 41042415
[3-(1,3-benzoxazole-2-carbonyl)-5-cyclohexyl-2-methyl-6-morpholin-4-yl-6-oxohexyl] carbamate
CID 67433366
[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[1-(3-cyclopropyl-1,2,4-oxadiazole-5-carbonyl)-2-methylcyclopropyl]carbamate
CID 143134072
[3-(1,3-benzoxazol-2-yl)-3-oxopropyl] N-(3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl)carbamate
CID 90687961

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate (CID 11598086) is [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate is C[C@H](NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1)C(=O)c1nc2cc(F)ccc2o1.
What is the InChIKey of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is ZIIHQBWNLGYESG-YWZLYKJASA-N. The full InChI is InChI=1S/C24H30FN3O6/c1-15(21(29)22-27-18-14-17(25)7-8-19(18)33-22)26-24(31)34-20(13-16-5-3-2-4-6-16)23(30)28-9-11-32-12-10-28/h7-8,14-16,20H,2-6,9-13H2,1H3,(H,26,31)/t15-,20-/m0/s1.
What are the key properties of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate?
[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 475.52 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 11598086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).