1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone

C18H19NO3 — CID 10732763

IUPAC1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone
SMILESCOc1ccc([C@H]2C[C@H](C(C)=O)ON2c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-13(20)18-12-17(14-8-10-16(21-2)11-9-14)19(22-18)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3/t17-,18-/m1/s1
InChIKeyLZVSPIITIRMWHQ-QZTJIDSGSA-N
MW297.35 g/mol
LogP3.54
Rot. Bonds4

About 1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone

1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone (PubChem CID 10732763) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone
PubChem CID10732763
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone
SMILESCOc1ccc([C@H]2C[C@H](C(C)=O)ON2c2ccccc2)cc1
InChIInChI=1S/C18H19NO3/c1-13(20)18-12-17(14-8-10-16(21-2)11-9-14)19(22-18)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3/t17-,18-/m1/s1
InChIKeyLZVSPIITIRMWHQ-QZTJIDSGSA-N
XLogP3.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethylsulfanyl)-1,2-oxazolidine
CID 162534654
[3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate
CID 11381971
[(3R,5R)-5-acetyl-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl] 4-aminobenzoate
CID 10765176
1-[7-(4-methoxyphenyl)-5-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 6501219
1-[(2S,4S)-2-(4-methoxyphenyl)-1,3-dioxan-4-yl]ethanone
CID 11031862
(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
1-[7-(2-methoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 6501279
(3R,5R)-2,3-diphenyl-5-phenylsulfanyl-1,2-oxazolidine
CID 134938194
4-[1-benzoyl-6-(4-methoxyphenyl)piperidin-2-yl]benzaldehyde
CID 126657946
(3S,3aR,6aS)-3,5-bis(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 1043935
(4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine
CID 10961096
methyl (3R,6R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-3,6-dihydrooxazine-4-carboxylate
CID 102309534

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone?
The IUPAC name of 1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone (CID 10732763) is 1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone.
What is the SMILES notation for 1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone?
The canonical SMILES for 1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone is COc1ccc([C@H]2C[C@H](C(C)=O)ON2c2ccccc2)cc1.
What is the InChIKey of 1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone?
The InChIKey is LZVSPIITIRMWHQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(20)18-12-17(14-8-10-16(21-2)11-9-14)19(22-18)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of 1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone?
1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone has a molecular weight of 297.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone is sourced from PubChem (CID 10732763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).