(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one

C34H34N2O6 — CID 160537927

IUPAC(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1COC(=O)N1C(=O)[C@@H]1C[C@H]1c1ccccc1.O=C1OC[C@H](Cc2ccccc2)N1C(=O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C20H19NO3.C14H15NO3/c22-19(18-12-17(18)15-9-5-2-6-10-15)21-16(13-24-20(21)23)11-14-7-3-1-4-8-14;1-9-8-18-14(17)15(9)13(16)12-7-11(12)10-5-3-2-4-6-10/h1-10,16-18H,11-13H2;2-6,9,11-12H,7-8H2,1H3/t16-,17+,18-;9-,11-,12+/m00/s1
InChIKeyQWKBKTAXRITSPI-YZPYTYAFSA-N
MW566.65 g/mol
LogP5.54
Rot. Bonds6

About (4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one (PubChem CID 160537927) has the molecular formula C34H34N2O6 and a molecular weight of 566.65 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
PubChem CID160537927
Molecular FormulaC34H34N2O6
Molecular Weight566.65 g/mol
Exact Mass566.24
IUPAC Name(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1COC(=O)N1C(=O)[C@@H]1C[C@H]1c1ccccc1.O=C1OC[C@H](Cc2ccccc2)N1C(=O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C20H19NO3.C14H15NO3/c22-19(18-12-17(18)15-9-5-2-6-10-15)21-16(13-24-20(21)23)11-14-7-3-1-4-8-14;1-9-8-18-14(17)15(9)13(16)12-7-11(12)10-5-3-2-4-6-10/h1-10,16-18H,11-13H2;2-6,9,11-12H,7-8H2,1H3/t16-,17+,18-;9-,11-,12+/m00/s1
InChIKeyQWKBKTAXRITSPI-YZPYTYAFSA-N
XLogP5.54
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.65
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 159175739
(4S)-4-benzyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 118160677
(4S)-4-benzyl-3-[(3R,4R)-1-benzyl-4-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 70273712
(4S)-4-benzyl-3-[(3S,4S)-1-benzyl-4-phenylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 70203057
(4R)-4-benzyl-3-[(3R,4R)-1-benzyl-4-methylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 22871815
(4R)-4-benzyl-3-[(3S,4R)-3-methyloxane-4-carbonyl]-1,3-oxazolidin-2-one
CID 68847598
tert-butyl 3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-4-phenylpyrrolidine-1-carboxylate
CID 142165677
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-[(3R,4S)-2,3-diphenyl-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
CID 10693824
(4S)-4-benzyl-3-[(3S,4S)-1-benzyl-4-ethylpyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
CID 22871826
(4R)-4-benzyl-3-[(3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one;hydrochloride
CID 67231779
(4R)-4-benzyl-3-[(1R,2R)-2-(4-bromophenyl)-4-oxocyclohexanecarbonyl]-1,3-oxazolidin-2-one
CID 72546733

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one (CID 160537927) is (4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one is C[C@H]1COC(=O)N1C(=O)[C@@H]1C[C@H]1c1ccccc1.O=C1OC[C@H](Cc2ccccc2)N1C(=O)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one?
The InChIKey is QWKBKTAXRITSPI-YZPYTYAFSA-N. The full InChI is InChI=1S/C20H19NO3.C14H15NO3/c22-19(18-12-17(18)15-9-5-2-6-10-15)21-16(13-24-20(21)23)11-14-7-3-1-4-8-14;1-9-8-18-14(17)15(9)13(16)12-7-11(12)10-5-3-2-4-6-10/h1-10,16-18H,11-13H2;2-6,9,11-12H,7-8H2,1H3/t16-,17+,18-;9-,11-,12+/m00/s1.
What are the key properties of (4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one has a molecular weight of 566.65 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one;(4S)-4-methyl-3-[(1R,2R)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 160537927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).