3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one

C13H15NO3 — CID 117060376

IUPAC3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one
SMILESCC1(C)Cc2cccc(N3CCOC3=O)c2O1
InChIInChI=1S/C13H15NO3/c1-13(2)8-9-4-3-5-10(11(9)17-13)14-6-7-16-12(14)15/h3-5H,6-8H2,1-2H3
InChIKeySKHHHGISTXVZKY-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.36
Rot. Bonds1

About 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one

3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one (PubChem CID 117060376) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one
PubChem CID117060376
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one
SMILESCC1(C)Cc2cccc(N3CCOC3=O)c2O1
InChIInChI=1S/C13H15NO3/c1-13(2)8-9-4-3-5-10(11(9)17-13)14-6-7-16-12(14)15/h3-5H,6-8H2,1-2H3
InChIKeySKHHHGISTXVZKY-UHFFFAOYSA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-prop-1-ynoxy-1,3,4-oxadiazol-2-one
CID 70507740
3-(2H-benzotriazol-4-yl)-1,3-oxazolidin-2-one
CID 19753243
3-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one
CID 14120198
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
2,2-dimethyl-3,7,8,9-tetrahydrofuro[3,2-i][1]benzoxepin-6-one
CID 43154982
3-(2,6-diethylphenyl)-1,3-oxazolidin-2-one
CID 14120196
3-[2-(2-oxo-1,3-oxazolidin-3-yl)phosphinin-3-yl]-1,3-oxazolidin-2-one;hydrochloride
CID 172762384
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-1-methylpiperazin-2-one
CID 99836918
3-[2-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 75509881
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]benzoic acid
CID 29275418
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one
CID 103439665
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanoic acid
CID 117314266

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one (CID 117060376) is 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one is CC1(C)Cc2cccc(N3CCOC3=O)c2O1.
What is the InChIKey of 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one?
The InChIKey is SKHHHGISTXVZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(2)8-9-4-3-5-10(11(9)17-13)14-6-7-16-12(14)15/h3-5H,6-8H2,1-2H3.
What are the key properties of 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one?
3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one has a molecular weight of 233.27 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 117060376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).