1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone

C18H18ClNO2 — CID 141321769

IUPAC1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1COC[C@H]1Cc1ccccc1
InChIInChI=1S/C18H18ClNO2/c19-16-8-4-7-15(9-16)11-18(21)20-13-22-12-17(20)10-14-5-2-1-3-6-14/h1-9,17H,10-13H2/t17-/m1/s1
InChIKeyPEDKEUBOIFNAHX-QGZVFWFLSA-N
MW315.80 g/mol
LogP3.31
Rot. Bonds4

About 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone

1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone (PubChem CID 141321769) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone
PubChem CID141321769
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1COC[C@H]1Cc1ccccc1
InChIInChI=1S/C18H18ClNO2/c19-16-8-4-7-15(9-16)11-18(21)20-13-22-12-17(20)10-14-5-2-1-3-6-14/h1-9,17H,10-13H2/t17-/m1/s1
InChIKeyPEDKEUBOIFNAHX-QGZVFWFLSA-N
XLogP3.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 135240996
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one
CID 102507909
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone
CID 140978325
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 151312894
2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid
CID 62505452
2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79030258
(2R,4R)-1-[2-(3-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000883
(4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 55083785
(3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one
CID 142754319
1-[2-(2-bromopropyl)pyrrolidin-1-yl]-2-(3-chlorophenyl)ethanone
CID 112748459
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone?
The IUPAC name of 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone (CID 141321769) is 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone.
What is the SMILES notation for 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone?
The canonical SMILES for 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone is O=C(Cc1cccc(Cl)c1)N1COC[C@H]1Cc1ccccc1.
What is the InChIKey of 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone?
The InChIKey is PEDKEUBOIFNAHX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18ClNO2/c19-16-8-4-7-15(9-16)11-18(21)20-13-22-12-17(20)10-14-5-2-1-3-6-14/h1-9,17H,10-13H2/t17-/m1/s1.
What are the key properties of 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone?
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone has a molecular weight of 315.80 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone is sourced from PubChem (CID 141321769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).