(4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one

C21H23NO5 — CID 135010564

IUPAC(4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C[C@@H](CO)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C21H23NO5/c1-26-19-9-7-16(8-10-19)11-17(13-23)20(24)22-18(14-27-21(22)25)12-15-5-3-2-4-6-15/h2-10,17-18,23H,11-14H2,1H3/t17-,18+/m0/s1
InChIKeyNMYRDAKIPBYUIP-ZWKOTPCHSA-N
MW369.42 g/mol
LogP2.44
Rot. Bonds7

About (4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 135010564) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID135010564
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name(4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C[C@@H](CO)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C21H23NO5/c1-26-19-9-7-16(8-10-19)11-17(13-23)20(24)22-18(14-27-21(22)25)12-15-5-3-2-4-6-15/h2-10,17-18,23H,11-14H2,1H3/t17-,18+/m0/s1
InChIKeyNMYRDAKIPBYUIP-ZWKOTPCHSA-N
XLogP2.44
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2908424
4-methoxybenzyl allyl(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)carbamate
CID 16728325
Benzyl 1-acetyl-2-(4-methoxybenzyl)pyrrolidine-2-carboxylate
CID 46884616
(4R,5R)-5-[(S)-Hydroxy-(4-methoxy-phenyl)-methyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397982
(4S)-4-benzyl-3-[(2S)-2-[(1R)-1-hydroxy-3-phenylmethoxypropyl]decanoyl]-1,3-oxazolidin-2-one
CID 46229557
(2R,8aR)-2-hydroxy-7-(4-methoxyphenyl)-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 70681411
(2R,8aS)-2-hydroxy-7-(4-methoxyphenyl)-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 70689817
2-[(4R)-4-hydroxy-1-(2-phenylacetyl)pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanone
CID 73347534
1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl)-piperazin-1-yl]-2-(4-methoxy-phenyl)-ethanone
CID 44458578
Propionic acid, 3-(p-methoxyphenyl)-2-phenyl-, 1-methyl-2-pyrrolidinylmethyl ester
CID 209998
(S)-2-Benzyloxycarbonylamino-3-[4-(3-pyrrolidin-1-yl-propoxy)-phenyl]-propionic acid
CID 9888704
2-[Methyl-[2-(4-phenylmethoxyphenyl)acetyl]amino]-3-phenylpropanoic acid
CID 10692528

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one (CID 135010564) is (4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one is COc1ccc(C[C@@H](CO)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is NMYRDAKIPBYUIP-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H23NO5/c1-26-19-9-7-16(8-10-19)11-17(13-23)20(24)22-18(14-27-21(22)25)12-15-5-3-2-4-6-15/h2-10,17-18,23H,11-14H2,1H3/t17-,18+/m0/s1.
What are the key properties of (4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 369.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2S)-2-(hydroxymethyl)-3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135010564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).