(4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one

C19H21NO4 — CID 16720392

IUPAC(4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](CO)[C@H](COCc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C19H21NO4/c21-12-18-17(14-23-13-16-9-5-2-6-10-16)20(19(22)24-18)11-15-7-3-1-4-8-15/h1-10,17-18,21H,11-14H2/t17-,18+/m0/s1
InChIKeyVTXKTLNHHWDTHE-ZWKOTPCHSA-N
MW327.38 g/mol
LogP2.59
Rot. Bonds7

About (4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one

(4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 16720392) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
PubChem CID16720392
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](CO)[C@H](COCc2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C19H21NO4/c21-12-18-17(14-23-13-16-9-5-2-6-10-16)20(19(22)24-18)11-15-7-3-1-4-8-15/h1-10,17-18,21H,11-14H2/t17-,18+/m0/s1
InChIKeyVTXKTLNHHWDTHE-ZWKOTPCHSA-N
XLogP2.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-phenyl-3-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]-1,3-oxazolidin-2-one
CID 71713801
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
1-[Benzyl(ethyl)amino]-3-phenylmethoxypropan-2-ol
CID 44427649
3-(1,1-Dimethylethyl)-2-phenyloxazolidine-5-methanol
CID 108810
(4R)-4-phenyl-3-[6-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexyl]-1,3-oxazolidin-2-one
CID 71713802
1-[Benzyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 44427650
benzyl N-benzyl-N-(2-hydroxyethyl)carbamate
CID 337567
(2R,3S)-3-[methyl(2-methylpropyl)amino]-3-(4-methylphenyl)-2-phenylmethoxypropan-1-ol
CID 44583552
(5R,6S,7S,8R,8aR)-6-fluoro-5,8-dihydroxy-7-phenylmethoxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 172446212
(5R,6R,7S,8R,8aR)-6-fluoro-5,8-dihydroxy-7-phenylmethoxy-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 172462656
(4S,5R)-3-ethenyl-4,5-diphenyl-1,3-oxazolidin-2-one
CID 10999952
Benzyl (3S,4S)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 14771966

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one (CID 16720392) is (4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@H](CO)[C@H](COCc2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is VTXKTLNHHWDTHE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H21NO4/c21-12-18-17(14-23-13-16-9-5-2-6-10-16)20(19(22)24-18)11-15-7-3-1-4-8-15/h1-10,17-18,21H,11-14H2/t17-,18+/m0/s1.
What are the key properties of (4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
(4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 327.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-benzyl-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 16720392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).