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

C12H15NO2 — CID 11356190

IUPAC1-(3-methyl-5-phenyl-1,2-oxazolidin-2-yl)ethanone
SMILESCC(=O)N1OC(c2ccccc2)CC1C
InChIInChI=1S/C12H15NO2/c1-9-8-12(15-13(9)10(2)14)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3
InChIKeyOXAJQPICYRGOIF-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.30
Rot. Bonds1

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

1-(3-methyl-5-phenyl-1,2-oxazolidin-2-yl)ethanone (PubChem CID 11356190) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(3-methyl-5-phenyl-1,2-oxazolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-5-phenyl-1,2-oxazolidin-2-yl)ethanone
PubChem CID11356190
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(3-methyl-5-phenyl-1,2-oxazolidin-2-yl)ethanone
SMILESCC(=O)N1OC(c2ccccc2)CC1C
InChIInChI=1S/C12H15NO2/c1-9-8-12(15-13(9)10(2)14)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3
InChIKeyOXAJQPICYRGOIF-UHFFFAOYSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Beloxamide
CID 27155
Benzyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CID 15817097
(1R,2R)-2-methyl-3-(1-oxidopyrrolidin-1-ium-1-yl)-1-phenylbutan-1-ol
CID 11776842
(2S,3aR)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole
CID 12842095
2-Methyl-5-phenylisoxazolidine
CID 11051981
(4S)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 11745453
(5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine
CID 145228395
(4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine
CID 145228956
[(2R)-2-fluoro-1-phenylmethoxypyrrolidin-3-ylidene]methanone
CID 174532175
(2R,3aR)-2-phenyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole
CID 12842096
N-(Benzyloxy)-N-(3-iodopropyl)acetamide
CID 24749669
(3R,5S)-2-but-3-enyl-3-ethenyl-5-phenyl-1,2-oxazolidine
CID 24862399

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5-phenyl-1,2-oxazolidin-2-yl)ethanone?
The IUPAC name of 1-(3-methyl-5-phenyl-1,2-oxazolidin-2-yl)ethanone (CID 11356190) is 1-(3-methyl-5-phenyl-1,2-oxazolidin-2-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-5-phenyl-1,2-oxazolidin-2-yl)ethanone?
The canonical SMILES for 1-(3-methyl-5-phenyl-1,2-oxazolidin-2-yl)ethanone is CC(=O)N1OC(c2ccccc2)CC1C.
What is the InChIKey of 1-(3-methyl-5-phenyl-1,2-oxazolidin-2-yl)ethanone?
The InChIKey is OXAJQPICYRGOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-8-12(15-13(9)10(2)14)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3.
What are the key properties of 1-(3-methyl-5-phenyl-1,2-oxazolidin-2-yl)ethanone?
1-(3-methyl-5-phenyl-1,2-oxazolidin-2-yl)ethanone has a molecular weight of 205.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5-phenyl-1,2-oxazolidin-2-yl)ethanone is sourced from PubChem (CID 11356190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).