2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one

C17H19NO4 — CID 134844557

IUPAC2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one
SMILESCC1(C)CC(=O)C=C(C(=O)N2CCOC2c2ccccc2)O1
InChIInChI=1S/C17H19NO4/c1-17(2)11-13(19)10-14(22-17)15(20)18-8-9-21-16(18)12-6-4-3-5-7-12/h3-7,10,16H,8-9,11H2,1-2H3
InChIKeyHJSVGUYXQWGNNY-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.20
Rot. Bonds2

About 2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one

2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one (PubChem CID 134844557) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one
PubChem CID134844557
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one
SMILESCC1(C)CC(=O)C=C(C(=O)N2CCOC2c2ccccc2)O1
InChIInChI=1S/C17H19NO4/c1-17(2)11-13(19)10-14(22-17)15(20)18-8-9-21-16(18)12-6-4-3-5-7-12/h3-7,10,16H,8-9,11H2,1-2H3
InChIKeyHJSVGUYXQWGNNY-UHFFFAOYSA-N
XLogP2.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

COX inhibitor, 5a
CID 12444099
N-Benzyl-3-benzyloxy-2-pyridone
CID 90335
COX inhibitor, 8
CID 11021865
5-[(2-fluorobenzyl)oxy]-2-(pyrrolidin-1-ylcarbonyl)-4H-pyran-4-one
CID 49656174
Nsc25565
CID 230549
(4S)-1-Benzyl-4-(benzyloxy)pyrrolidin-2-one
CID 10869717
(3S)-1-Benzyl-3-(benzyloxy)pyrrolidine-2,5-dione
CID 11033761
5-((4-fluorobenzyl)oxy)-2-(pyrrolidine-1-carbonyl)-4H-pyran-4-one
CID 42227166
(1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione
CID 155811869
(4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one
CID 12028153
6-Methyl-2-phenyl-3-propyl-2,3-dihydro-4H-1,3-oxazin-4-one
CID 12913829
[(2R,3S)-3-phenyloxiran-2-yl]-[(2R,4R)-4-phenyl-2-propyl-1,3-oxazolidin-3-yl]methanone
CID 72197007

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one?
The IUPAC name of 2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one (CID 134844557) is 2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one.
What is the SMILES notation for 2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one?
The canonical SMILES for 2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one is CC1(C)CC(=O)C=C(C(=O)N2CCOC2c2ccccc2)O1.
What is the InChIKey of 2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one?
The InChIKey is HJSVGUYXQWGNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-17(2)11-13(19)10-14(22-17)15(20)18-8-9-21-16(18)12-6-4-3-5-7-12/h3-7,10,16H,8-9,11H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one?
2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one has a molecular weight of 301.34 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-phenyl-1,3-oxazolidine-3-carbonyl)-3H-pyran-4-one is sourced from PubChem (CID 134844557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).