5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one

C15H19NO3 — CID 100950638

IUPAC5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Cc1ccccc1)C(=O)N1CC(C)(C)OC1=O
InChIInChI=1S/C15H19NO3/c1-11(9-12-7-5-4-6-8-12)13(17)16-10-15(2,3)19-14(16)18/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1
InChIKeyBFQUBTFVCPWSGN-NSHDSACASA-N
MW261.32 g/mol
LogP2.62
Rot. Bonds3

About 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one

5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 100950638) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID100950638
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Cc1ccccc1)C(=O)N1CC(C)(C)OC1=O
InChIInChI=1S/C15H19NO3/c1-11(9-12-7-5-4-6-8-12)13(17)16-10-15(2,3)19-14(16)18/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1
InChIKeyBFQUBTFVCPWSGN-NSHDSACASA-N
XLogP2.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 11064736
(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10937055
1-(2-methyl-3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
CID 110612558
(4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one
CID 10501109
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
3-[(3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 24745918
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
CID 20537348
CID 20537348
(4S)-4-benzyl-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 58566621
1-[4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxalin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110355200

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one (CID 100950638) is 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one is C[C@@H](Cc1ccccc1)C(=O)N1CC(C)(C)OC1=O.
What is the InChIKey of 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is BFQUBTFVCPWSGN-NSHDSACASA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(9-12-7-5-4-6-8-12)13(17)16-10-15(2,3)19-14(16)18/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 100950638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).