(4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one

C26H25NO5 — CID 15180731

IUPAC(4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C26H25NO5/c1-30-23-13-12-21(15-24(23)31-17-20-10-6-3-7-11-20)16-25(28)27-22(18-32-26(27)29)14-19-8-4-2-5-9-19/h2-13,15,22H,14,16-18H2,1H3/t22-/m0/s1
InChIKeyMCMGTKLICVSCTA-QFIPXVFZSA-N
MW431.49 g/mol
LogP4.41
Rot. Bonds8

About (4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 15180731) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID15180731
Molecular FormulaC26H25NO5
Molecular Weight431.49 g/mol
Exact Mass431.17
IUPAC Name(4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C26H25NO5/c1-30-23-13-12-21(15-24(23)31-17-20-10-6-3-7-11-20)16-25(28)27-22(18-32-26(27)29)14-19-8-4-2-5-9-19/h2-13,15,22H,14,16-18H2,1H3/t22-/m0/s1
InChIKeyMCMGTKLICVSCTA-QFIPXVFZSA-N
XLogP4.41
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-3-[2-(4-methoxy-3-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 69145722
(4S)-4-benzyl-3-[(Z)-1-hydroxy-3-(4-methoxy-3-phenylmethoxyphenyl)prop-1-enyl]-1,3-oxazolidin-2-one
CID 10026542
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
(4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 163648230
(4S)-4-benzyl-3-[2-(3-phenyl-5-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;ethane
CID 91171300
4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 72957232
4-benzyl-3-[(2R)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 134834760
N-[5-[2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-2-methoxyphenyl]-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 69308487
(4R)-4-benzyl-3-[2-(4-chloro-3-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 59580359
(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-3-(3-methoxy-4-phenylmethoxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 11576507
(4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one
CID 15935410

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one (CID 15180731) is (4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one is COc1ccc(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is MCMGTKLICVSCTA-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H25NO5/c1-30-23-13-12-21(15-24(23)31-17-20-10-6-3-7-11-20)16-25(28)27-22(18-32-26(27)29)14-19-8-4-2-5-9-19/h2-13,15,22H,14,16-18H2,1H3/t22-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 431.49 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[2-(4-methoxy-3-phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15180731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).