(4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone

C13H13NO4 — CID 112736645

IUPAC(4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CC(O)CO2)oc2ccccc12
InChIInChI=1S/C13H13NO4/c1-8-10-4-2-3-5-11(10)18-12(8)13(16)14-6-9(15)7-17-14/h2-5,9,15H,6-7H2,1H3
InChIKeyZQULESUCZJUGRZ-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.49
Rot. Bonds1

About (4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone

(4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 112736645) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is (4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone
PubChem CID112736645
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name(4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CC(O)CO2)oc2ccccc12
InChIInChI=1S/C13H13NO4/c1-8-10-4-2-3-5-11(10)18-12(8)13(16)14-6-9(15)7-17-14/h2-5,9,15H,6-7H2,1H3
InChIKeyZQULESUCZJUGRZ-UHFFFAOYSA-N
XLogP1.49
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
1,4-diazabicyclo[3.2.2]nonan-4-yl-(3-methyl-1-benzofuran-2-yl)methanone
CID 68596839
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 154870837
[3-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 119487178
(2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 17482867
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 120817018
[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067179
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 110259313

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone (CID 112736645) is (4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)N2CC(O)CO2)oc2ccccc12.
What is the InChIKey of (4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is ZQULESUCZJUGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-8-10-4-2-3-5-11(10)18-12(8)13(16)14-6-9(15)7-17-14/h2-5,9,15H,6-7H2,1H3.
What are the key properties of (4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone?
(4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 247.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1,2-oxazolidin-2-yl)-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 112736645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).