3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one

C13H11NO3 — CID 114763761

IUPAC3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one
SMILESCCc1c(C2=NOC(=O)C2)oc2ccccc12
InChIInChI=1S/C13H11NO3/c1-2-8-9-5-3-4-6-11(9)16-13(8)10-7-12(15)17-14-10/h3-6H,2,7H2,1H3
InChIKeyWKNOSNDJQFKIJK-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.65
Rot. Bonds2

About 3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one

3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one (PubChem CID 114763761) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one
PubChem CID114763761
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one
SMILESCCc1c(C2=NOC(=O)C2)oc2ccccc12
InChIInChI=1S/C13H11NO3/c1-2-8-9-5-3-4-6-11(9)16-13(8)10-7-12(15)17-14-10/h3-6H,2,7H2,1H3
InChIKeyWKNOSNDJQFKIJK-UHFFFAOYSA-N
XLogP2.65
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

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1-[5-[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
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3-ethyl-4-oxochromene-2-carboxamide
CID 151195222
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CID 62252280
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CID 45095668

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one?
The IUPAC name of 3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one (CID 114763761) is 3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one?
The canonical SMILES for 3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one is CCc1c(C2=NOC(=O)C2)oc2ccccc12.
What is the InChIKey of 3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one?
The InChIKey is WKNOSNDJQFKIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-2-8-9-5-3-4-6-11(9)16-13(8)10-7-12(15)17-14-10/h3-6H,2,7H2,1H3.
What are the key properties of 3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one?
3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one has a molecular weight of 229.23 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1-benzofuran-2-yl)-4H-1,2-oxazol-5-one is sourced from PubChem (CID 114763761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).