(3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one

C15H21NO2 — CID 12994986

IUPAC(3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one
SMILESCC1(C)C(=O)ON(C(C)(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C15H21NO2/c1-14(2,3)16-12(11-9-7-6-8-10-11)15(4,5)13(17)18-16/h6-10,12H,1-5H3/t12-/m0/s1
InChIKeyXTXMYCXCRMECJG-LBPRGKRZSA-N
MW247.34 g/mol
LogP3.33
Rot. Bonds1

About (3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one

(3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one (PubChem CID 12994986) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name(3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one
PubChem CID12994986
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one
SMILESCC1(C)C(=O)ON(C(C)(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C15H21NO2/c1-14(2,3)16-12(11-9-7-6-8-10-11)15(4,5)13(17)18-16/h6-10,12H,1-5H3/t12-/m0/s1
InChIKeyXTXMYCXCRMECJG-LBPRGKRZSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-methylene-3-(p-tolyl)isoxazolidin-5-one
CID 16126611
2-Methyl-4-methylidene-3-phenyl-1,2-oxazolidin-5-one
CID 44409021
(3R)-3-(dimethylamino)-3-phenylpropanoic acid
CID 28743062
1-Piperidinepropionic acid, beta-phenyl-, methyl ester
CID 201865
3-(Dimethylamino)-3-phenylpropanoic acid hydrochloride
CID 12520909
3-Dimethylamino-3-phenylpropionic acid
CID 12520908
(3R,4R)-2-benzyl-3,4-dimethyl-1,2-oxazolidin-5-one
CID 11390109
rac-(2R,3S)-1-methyl-2-phenylpyrrolidine-3-carboxylic acid hydrochloride
CID 121553791
3-Phenyl-3-(pyrrolidin-1-yl)propanoic acid hydrochloride
CID 137944527
Ethyl 2,2-difluoro-3-[methoxy(methyl)amino]-3-phenylpropanoate
CID 164675462
Methyl 3-(1-benzylpyrrolidin-2-yl)-2-methylpropanoate
CID 15212609
(3S,4R)-2-benzyl-4-methyl-3-phenyl-1,2-oxazolidin-5-one
CID 11402901

Frequently Asked Questions

What is the IUPAC name of (3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one?
The IUPAC name of (3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one (CID 12994986) is (3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one.
What is the SMILES notation for (3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one?
The canonical SMILES for (3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one is CC1(C)C(=O)ON(C(C)(C)C)[C@H]1c1ccccc1.
What is the InChIKey of (3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one?
The InChIKey is XTXMYCXCRMECJG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21NO2/c1-14(2,3)16-12(11-9-7-6-8-10-11)15(4,5)13(17)18-16/h6-10,12H,1-5H3/t12-/m0/s1.
What are the key properties of (3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one?
(3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one has a molecular weight of 247.34 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-tert-butyl-4,4-dimethyl-3-phenyl-1,2-oxazolidin-5-one is sourced from PubChem (CID 12994986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).