2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone

C12H13NO2 — CID 143798313

IUPAC2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone
SMILESCC1=NO[C@H](CC(=O)c2ccccc2)C1
InChIInChI=1S/C12H13NO2/c1-9-7-11(15-13-9)8-12(14)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeySLTKWFYDOLNSCK-NSHDSACASA-N
MW203.24 g/mol
LogP2.42
Rot. Bonds3

About 2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone

2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone (PubChem CID 143798313) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone
PubChem CID143798313
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone
SMILESCC1=NO[C@H](CC(=O)c2ccccc2)C1
InChIInChI=1S/C12H13NO2/c1-9-7-11(15-13-9)8-12(14)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeySLTKWFYDOLNSCK-NSHDSACASA-N
XLogP2.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)benzamide
CID 135335595
2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 95052078
ethane;(5R)-3-methyl-5-[(2-methylphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 143798288
2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 53017144
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
2-[(4R,6S)-4-hydroxy-6-phenyloxan-2-yl]-1-phenylethanone
CID 138975662
(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 6420656
1-phenyl-2-[(2R,6S)-6-phenyloxan-2-yl]ethanone
CID 132849136
1-phenyl-2-(6-phenyloxan-2-yl)ethanone
CID 102133371
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
CID 73333079
2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone
CID 102431090
1-phenyl-2-[(2R,4R)-2-(2-phenylethyl)-1,3-dioxan-4-yl]ethanone
CID 122379036

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone?
The IUPAC name of 2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone (CID 143798313) is 2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone?
The canonical SMILES for 2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone is CC1=NO[C@H](CC(=O)c2ccccc2)C1.
What is the InChIKey of 2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone?
The InChIKey is SLTKWFYDOLNSCK-NSHDSACASA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-7-11(15-13-9)8-12(14)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1.
What are the key properties of 2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone?
2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone has a molecular weight of 203.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]-1-phenylethanone is sourced from PubChem (CID 143798313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).