3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one

C22H24N2O5 — CID 11223206

IUPAC3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@@H]1CON(Cc2ccccc2)[C@H]1COCc1ccccc1
InChIInChI=1S/C22H24N2O5/c25-21(23-11-12-28-22(23)26)19-15-29-24(13-17-7-3-1-4-8-17)20(19)16-27-14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20+/m1/s1
InChIKeyUQDRLGAMECMNTA-UXHICEINSA-N
MW396.44 g/mol
LogP2.61
Rot. Bonds7

About 3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one

3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 11223206) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
PubChem CID11223206
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@@H]1CON(Cc2ccccc2)[C@H]1COCc1ccccc1
InChIInChI=1S/C22H24N2O5/c25-21(23-11-12-28-22(23)26)19-15-29-24(13-17-7-3-1-4-8-17)20(19)16-27-14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20+/m1/s1
InChIKeyUQDRLGAMECMNTA-UXHICEINSA-N
XLogP2.61
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1S,2S)-4-[bis[tert-butyl(dimethyl)silyl]methyl]-2-(phenylmethoxymethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 132500460
(5R,6S,7aS)-6-hydroxy-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 11958153
3-(2-methyl-4-phenylmethoxybutanoyl)-1,3-oxazolidin-2-one
CID 137468469
3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one
CID 57343299
[(2S,3S,4R,5S)-1-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol
CID 11092599
4-(phenylmethoxymethyl)oxathiazolidine-3-carboxylic acid
CID 135371846
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
3-[(3R)-7-chloro-4,4-dimethyl-3-(2-phenylmethoxyethyl)heptanoyl]-1,3-oxazolidin-2-one
CID 11452241
(2S,3R)-1-benzyl-3-(phenylmethoxymethyl)azetidine-2-carboxylic acid
CID 126651453
6-(phenylmethoxymethyl)-4-oxa-1-azabicyclo[3.1.0]hexan-2-one
CID 175256880
3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylic acid
CID 69005272
benzyl (2S)-2-[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]pyrrolidine-1-carboxylate
CID 15894128

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one (CID 11223206) is 3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)[C@@H]1CON(Cc2ccccc2)[C@H]1COCc1ccccc1.
What is the InChIKey of 3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is UQDRLGAMECMNTA-UXHICEINSA-N. The full InChI is InChI=1S/C22H24N2O5/c25-21(23-11-12-28-22(23)26)19-15-29-24(13-17-7-3-1-4-8-17)20(19)16-27-14-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-,20+/m1/s1.
What are the key properties of 3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one?
3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 396.44 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4S)-2-benzyl-3-(phenylmethoxymethyl)-1,2-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11223206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).