2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone

C18H19NO2 — CID 110740456

IUPAC2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone
SMILESCc1ccc(CC(=O)N2COC(c3ccccc3)C2)cc1
InChIInChI=1S/C18H19NO2/c1-14-7-9-15(10-8-14)11-18(20)19-12-17(21-13-19)16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3
InChIKeyMSMYPLGLXCTYPM-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.10
Rot. Bonds3

About 2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone

2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone (PubChem CID 110740456) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone
PubChem CID110740456
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone
SMILESCc1ccc(CC(=O)N2COC(c3ccccc3)C2)cc1
InChIInChI=1S/C18H19NO2/c1-14-7-9-15(10-8-14)11-18(20)19-12-17(21-13-19)16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3
InChIKeyMSMYPLGLXCTYPM-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenoxy-1-(5-phenyl-1,3-oxazolidin-3-yl)butan-1-one
CID 110746632
2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119769741
2-(4-fluorophenyl)-1-(5-methyl-2-phenylmorpholin-4-yl)ethanone
CID 110369331
1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone
CID 121189085
2-(4-methylphenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662365
1-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 155507799
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 973340
1-[5,5-dimethyl-2-(4-methylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110327442
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110327324
2-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenylmorpholin-4-yl)ethanone
CID 110629831
1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)-2-phenylethanone
CID 110740541
1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 81210723

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone (CID 110740456) is 2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone is Cc1ccc(CC(=O)N2COC(c3ccccc3)C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is MSMYPLGLXCTYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14-7-9-15(10-8-14)11-18(20)19-12-17(21-13-19)16-5-3-2-4-6-16/h2-10,17H,11-13H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone?
2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 281.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(5-phenyl-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 110740456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).