N-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide

C17H23N3O4 — CID 99802157

IUPACN-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide
SMILESC[C@@H]1CN(C[C@@H]2CN(NC(=O)c3ccccc3)C(=O)O2)C[C@H](C)O1
InChIInChI=1S/C17H23N3O4/c1-12-8-19(9-13(2)23-12)10-15-11-20(17(22)24-15)18-16(21)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3,(H,18,21)/t12-,13+,15-/m1/s1
InChIKeyGVPPSMWSXQIOKI-VNHYZAJKSA-N
MW333.39 g/mol
LogP1.26
Rot. Bonds4

About N-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide

N-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide (PubChem CID 99802157) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide
PubChem CID99802157
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide
SMILESC[C@@H]1CN(C[C@@H]2CN(NC(=O)c3ccccc3)C(=O)O2)C[C@H](C)O1
InChIInChI=1S/C17H23N3O4/c1-12-8-19(9-13(2)23-12)10-15-11-20(17(22)24-15)18-16(21)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3,(H,18,21)/t12-,13+,15-/m1/s1
InChIKeyGVPPSMWSXQIOKI-VNHYZAJKSA-N
XLogP1.26
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]benzohydrazide
CID 8898901
N-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetyl]benzamide
CID 102935865
4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43048352
3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one
CID 55094936
N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide
CID 886437
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 95157617
N-(benzhydrylideneamino)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 1488902
N-[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 7124138
[3-[1-(2,6-dimethylmorpholin-4-yl)propan-2-yloxy]phenyl]-phenylmethanone
CID 19374751
N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 119528441
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 47114338
2-(2,6-dimethylmorpholin-4-yl)-1-(4-phenylphenyl)ethanone
CID 82051054

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide?
The IUPAC name of N-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide (CID 99802157) is N-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide.
What is the SMILES notation for N-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide?
The canonical SMILES for N-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide is C[C@@H]1CN(C[C@@H]2CN(NC(=O)c3ccccc3)C(=O)O2)C[C@H](C)O1.
What is the InChIKey of N-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide?
The InChIKey is GVPPSMWSXQIOKI-VNHYZAJKSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12-8-19(9-13(2)23-12)10-15-11-20(17(22)24-15)18-16(21)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3,(H,18,21)/t12-,13+,15-/m1/s1.
What are the key properties of N-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide?
N-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzamide is sourced from PubChem (CID 99802157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).