(2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one

C22H24N2O4 — CID 101130998

IUPAC(2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one
SMILESCCC[C@@H]1O[C@H](c2ccccc2)NC(=O)[C@@H]1N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-2-9-18-19(20(25)23-21(28-18)16-12-7-4-8-13-16)24-17(14-27-22(24)26)15-10-5-3-6-11-15/h3-8,10-13,17-19,21H,2,9,14H2,1H3,(H,23,25)/t17-,18+,19-,21-/m1/s1
InChIKeyXLMQACCKKQIGHI-RCLSDMTESA-N
MW380.44 g/mol
LogP3.56
Rot. Bonds5

About (2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one

(2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one (PubChem CID 101130998) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one.

Molecular Properties

Compound Name(2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one
PubChem CID101130998
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one
SMILESCCC[C@@H]1O[C@H](c2ccccc2)NC(=O)[C@@H]1N1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-2-9-18-19(20(25)23-21(28-18)16-12-7-4-8-13-16)24-17(14-27-22(24)26)15-10-5-3-6-11-15/h3-8,10-13,17-19,21H,2,9,14H2,1H3,(H,23,25)/t17-,18+,19-,21-/m1/s1
InChIKeyXLMQACCKKQIGHI-RCLSDMTESA-N
XLogP3.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one
CID 101131007
(4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 23251083
3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 66933021
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
(4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 143706107
(4R)-3-[(1S,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 135066606
tert-butyl (1R,2R,3S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-pentylcyclopropane-1-carboxylate
CID 139038611
(4S)-3-[(2S)-2-[(1R)-1-hydroxyethyl]hexanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134837890
(5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one
CID 102009380
(4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one
CID 15468887
(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101113986
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one?
The IUPAC name of (2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one (CID 101130998) is (2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one.
What is the SMILES notation for (2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one?
The canonical SMILES for (2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one is CCC[C@@H]1O[C@H](c2ccccc2)NC(=O)[C@@H]1N1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one?
The InChIKey is XLMQACCKKQIGHI-RCLSDMTESA-N. The full InChI is InChI=1S/C22H24N2O4/c1-2-9-18-19(20(25)23-21(28-18)16-12-7-4-8-13-16)24-17(14-27-22(24)26)15-10-5-3-6-11-15/h3-8,10-13,17-19,21H,2,9,14H2,1H3,(H,23,25)/t17-,18+,19-,21-/m1/s1.
What are the key properties of (2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one?
(2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one has a molecular weight of 380.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one is sourced from PubChem (CID 101130998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).