[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate

C24H25N3O6 — CID 11612144

IUPAC[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate
SMILESCC[C@H](NC(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C24H25N3O6/c1-2-17(20(28)22-25-18-10-6-7-11-19(18)32-22)26-24(30)33-21(16-8-4-3-5-9-16)23(29)27-12-14-31-15-13-27/h3-11,17,21H,2,12-15H2,1H3,(H,26,30)/t17-,21-/m0/s1
InChIKeyFVBHLQCKWDVGPO-UWJYYQICSA-N
MW451.48 g/mol
LogP3.12
Rot. Bonds7

About [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate

[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate (PubChem CID 11612144) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate
PubChem CID11612144
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate
SMILESCC[C@H](NC(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C24H25N3O6/c1-2-17(20(28)22-25-18-10-6-7-11-19(18)32-22)26-24(30)33-21(16-8-4-3-5-9-16)23(29)27-12-14-31-15-13-27/h3-11,17,21H,2,12-15H2,1H3,(H,26,30)/t17-,21-/m0/s1
InChIKeyFVBHLQCKWDVGPO-UWJYYQICSA-N
XLogP3.12
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide
CID 11190399
[(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
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
CID 67301124
(2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 58649556
[(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
ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate
CID 143134062
(2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-2-[(1S)-1-methoxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanamide
CID 58619515
[1-[[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-benzylsulfonyl-1-oxopropan-2-yl] pyrrolidine-1-carboxylate
CID 72648556
ethyl N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]carbamate
CID 110286950
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide
CID 10323687
(2S,4R)-1-acetyl-N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-4-phenoxypyrrolidine-2-carboxamide
CID 71624114

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate?
The IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate (CID 11612144) is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate is CC[C@H](NC(=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1)C(=O)c1nc2ccccc2o1.
What is the InChIKey of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate?
The InChIKey is FVBHLQCKWDVGPO-UWJYYQICSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-2-17(20(28)22-25-18-10-6-7-11-19(18)32-22)26-24(30)33-21(16-8-4-3-5-9-16)23(29)27-12-14-31-15-13-27/h3-11,17,21H,2,12-15H2,1H3,(H,26,30)/t17-,21-/m0/s1.
What are the key properties of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate?
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate has a molecular weight of 451.48 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 11612144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).