(2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide

C27H37N3O5 — CID 58649556

IUPAC(2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESCC[C@H](NC(=O)[C@H](CCC1CCCCC1)CC(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C27H37N3O5/c1-2-21(25(32)27-29-22-10-6-7-11-23(22)35-27)28-26(33)20(13-12-19-8-4-3-5-9-19)18-24(31)30-14-16-34-17-15-30/h6-7,10-11,19-21H,2-5,8-9,12-18H2,1H3,(H,28,33)/t20-,21+/m1/s1
InChIKeyJOCCRNXSGZHTOB-RTWAWAEBSA-N
MW483.61 g/mol
LogP4.13
Rot. Bonds10

About (2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide

(2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 58649556) has the molecular formula C27H37N3O5 and a molecular weight of 483.61 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide
PubChem CID58649556
Molecular FormulaC27H37N3O5
Molecular Weight483.61 g/mol
Exact Mass483.27
IUPAC Name(2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESCC[C@H](NC(=O)[C@H](CCC1CCCCC1)CC(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C27H37N3O5/c1-2-21(25(32)27-29-22-10-6-7-11-23(22)35-27)28-26(33)20(13-12-19-8-4-3-5-9-19)18-24(31)30-14-16-34-17-15-30/h6-7,10-11,19-21H,2-5,8-9,12-18H2,1H3,(H,28,33)/t20-,21+/m1/s1
InChIKeyJOCCRNXSGZHTOB-RTWAWAEBSA-N
XLogP4.13
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide with MolForge

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Related Compounds

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
N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxo-4-phenylbutan-2-yl]-2-(cyclopropylmethylsulfonylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 58649510
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
ethane;methylcyclohexane;(2-oxo-2-piperidin-1-ylethyl) N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate
CID 143134062
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
CID 67301124
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate
CID 11612144
N-[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-3-cyclohexyl-2-[[methanesulfonamido(pyrrolidin-1-yl)methylidene]amino]propanamide
CID 69454522
[1-[1,3-benzoxazole-2-carbonyl(propyl)amino]-4-cyclohexyl-1-oxobutan-2-yl] morpholine-4-carboxylate
CID 90767888
2-(2-morpholin-4-yl-2-oxoethyl)-N-[1-(1,3-oxazol-2-yl)-1-oxobutan-2-yl]-5-phenylpentanamide
CID 22179885
[(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
(2R)-2-(2-cyclopentylethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide
CID 11203065

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of (2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide (CID 58649556) is (2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for (2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for (2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide is CC[C@H](NC(=O)[C@H](CCC1CCCCC1)CC(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1.
What is the InChIKey of (2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is JOCCRNXSGZHTOB-RTWAWAEBSA-N. The full InChI is InChI=1S/C27H37N3O5/c1-2-21(25(32)27-29-22-10-6-7-11-23(22)35-27)28-26(33)20(13-12-19-8-4-3-5-9-19)18-24(31)30-14-16-34-17-15-30/h6-7,10-11,19-21H,2-5,8-9,12-18H2,1H3,(H,28,33)/t20-,21+/m1/s1.
What are the key properties of (2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide?
(2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 483.61 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]-2-(2-cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 58649556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).