(4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one

C32H41NO7 — CID 10626519

IUPAC(4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESCO[C@H]1C[C@H](C[C@H]2OC(c3ccccc3)O[C@H]([C@H](C)C(=O)N3C(=O)OC[C@@H]3Cc3ccccc3)[C@H]2C)O[C@@H](C)C1
InChIInChI=1S/C32H41NO7/c1-20-15-26(36-4)17-27(38-20)18-28-21(2)29(40-31(39-28)24-13-9-6-10-14-24)22(3)30(34)33-25(19-37-32(33)35)16-23-11-7-5-8-12-23/h5-14,20-22,25-29,31H,15-19H2,1-4H3/t20-,21-,22-,25-,26+,27+,28+,29-,31?/m0/s1
InChIKeyZGEBCAUQBAFJRV-DISMQROJSA-N
MW551.68 g/mol
LogP5.30
Rot. Bonds8

About (4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one (PubChem CID 10626519) has the molecular formula C32H41NO7 and a molecular weight of 551.68 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one
PubChem CID10626519
Molecular FormulaC32H41NO7
Molecular Weight551.68 g/mol
Exact Mass551.29
IUPAC Name(4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one
SMILESCO[C@H]1C[C@H](C[C@H]2OC(c3ccccc3)O[C@H]([C@H](C)C(=O)N3C(=O)OC[C@@H]3Cc3ccccc3)[C@H]2C)O[C@@H](C)C1
InChIInChI=1S/C32H41NO7/c1-20-15-26(36-4)17-27(38-20)18-28-21(2)29(40-31(39-28)24-13-9-6-10-14-24)22(3)30(34)33-25(19-37-32(33)35)16-23-11-7-5-8-12-23/h5-14,20-22,25-29,31H,15-19H2,1-4H3/t20-,21-,22-,25-,26+,27+,28+,29-,31?/m0/s1
InChIKeyZGEBCAUQBAFJRV-DISMQROJSA-N
XLogP5.30
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.68
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-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

(4S)-4-benzyl-3-[(2S)-2-[(1R)-1-hydroxy-3-phenylmethoxypropyl]decanoyl]-1,3-oxazolidin-2-one
CID 46229557
(2S,3S,5R,6R)-6-(diethoxymethyl)-3-phenylmethoxy-2-(phenylmethoxymethyl)-1-azabicyclo[3.2.0]heptan-7-one
CID 134836475
(S)-3-(4-(2-(4-fluorophenyl)-5,5-dimethyl-1,3-dioxan-2-yl)butanoyl)-4-phenyloxazolidin-2-one
CID 25112456
(4S)-3-[2-[(4R,6S)-6-(4-fluorophenyl)-2-phenyl-1,3-dioxan-4-yl]acetyl]-4-phenyl-1,3-oxazolidin-2-one
CID 57697303
(4S)-3-[4-[2-(4-fluorophenyl)-1,3-dioxan-2-yl]butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 66932901
(4R,5S)-3-[(2R,3S)-3-hydroxy-5-(methoxymethoxy)-2-[(E)-2-phenylethenyl]pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10478353
(4R)-4-benzyl-3-[(3S)-3-methyl-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanoyl]-1,3-oxazolidin-2-one
CID 10963828
(4S)-4-benzyl-3-[(2S,3S,4S,5S,6R,7S,8S)-3-hydroxy-4-methoxy-2,6,8-trimethyl-5,7,9-tris(phenylmethoxy)nonanoyl]-1,3-oxazolidin-2-one
CID 11556719
[(2R,3R,4S)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methyl-1-oxopentan-3-yl] 3-methylbutanoate
CID 11642735
(4R)-4-benzyl-3-[(2R,3R,4R)-3-hydroxy-4-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2-methylpentanoyl]-1,3-oxazolidin-2-one
CID 11713016
chloro-[(1S,2S,3R,4R,7S)-3-methyl-1-[(2R,5S,6S)-5-methyl-6-[(2R)-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxopropan-2-yl]oxan-2-yl]-4-phenylmethoxy-2-(phenylmethoxymethoxy)-7-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]octyl]mercury
CID 14038727
(4R,5S)-4-methyl-3-[(2R)-2-[(2S,3S,6R)-3-methyl-6-[(2R,3R,4R,7S)-3-methyl-4-phenylmethoxy-2-(phenylmethoxymethoxy)-7-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]octyl]oxan-2-yl]propanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 14038729

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one (CID 10626519) is (4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one is CO[C@H]1C[C@H](C[C@H]2OC(c3ccccc3)O[C@H]([C@H](C)C(=O)N3C(=O)OC[C@@H]3Cc3ccccc3)[C@H]2C)O[C@@H](C)C1.
What is the InChIKey of (4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is ZGEBCAUQBAFJRV-DISMQROJSA-N. The full InChI is InChI=1S/C32H41NO7/c1-20-15-26(36-4)17-27(38-20)18-28-21(2)29(40-31(39-28)24-13-9-6-10-14-24)22(3)30(34)33-25(19-37-32(33)35)16-23-11-7-5-8-12-23/h5-14,20-22,25-29,31H,15-19H2,1-4H3/t20-,21-,22-,25-,26+,27+,28+,29-,31?/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 551.68 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(2S)-2-[(4S,5S,6R)-6-[[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]methyl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10626519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).