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

C18H19NO2 — CID 135240996

IUPAC1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1COC[C@H]1Cc1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(12-16-9-5-2-6-10-16)19-14-21-13-17(19)11-15-7-3-1-4-8-15/h1-10,17H,11-14H2/t17-/m1/s1
InChIKeyOVMQRBQGBKJYIQ-QGZVFWFLSA-N
MW281.36 g/mol
LogP2.66
Rot. Bonds4

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

1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone (PubChem CID 135240996) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
PubChem CID135240996
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1COC[C@H]1Cc1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(12-16-9-5-2-6-10-16)19-14-21-13-17(19)11-15-7-3-1-4-8-15/h1-10,17H,11-14H2/t17-/m1/s1
InChIKeyOVMQRBQGBKJYIQ-QGZVFWFLSA-N
XLogP2.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone
CID 141321769
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
(3R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-(4-fluorophenyl)butan-1-one
CID 142754319
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916
tert-butyl N-benzyl-N-[3-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-3-oxopropyl]carbamate
CID 141155510
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-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine
CID 10545000
(2S)-1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,4-difluorophenyl)propan-1-one
CID 150193108

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone?
The IUPAC name of 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone (CID 135240996) is 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone?
The canonical SMILES for 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1COC[C@H]1Cc1ccccc1.
What is the InChIKey of 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone?
The InChIKey is OVMQRBQGBKJYIQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(12-16-9-5-2-6-10-16)19-14-21-13-17(19)11-15-7-3-1-4-8-15/h1-10,17H,11-14H2/t17-/m1/s1.
What are the key properties of 1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone?
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone has a molecular weight of 281.36 g/mol, XLogP of 2.66, 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-phenylethanone is sourced from PubChem (CID 135240996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).