2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid

C13H9NO5 — CID 43477614

IUPAC2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1Cn1c(=O)oc2ccccc21
InChIInChI=1S/C13H9NO5/c15-12(16)8-5-6-18-11(8)7-14-9-3-1-2-4-10(9)19-13(14)17/h1-6H,7H2,(H,15,16)
InChIKeyJINMBXZOMMXBME-UHFFFAOYSA-N
MW259.22 g/mol
LogP1.93
Rot. Bonds3

About 2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid

2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid (PubChem CID 43477614) has the molecular formula C13H9NO5 and a molecular weight of 259.22 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid
PubChem CID43477614
Molecular FormulaC13H9NO5
Molecular Weight259.22 g/mol
Exact Mass259.05
IUPAC Name2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1Cn1c(=O)oc2ccccc21
InChIInChI=1S/C13H9NO5/c15-12(16)8-5-6-18-11(8)7-14-9-3-1-2-4-10(9)19-13(14)17/h1-6H,7H2,(H,15,16)
InChIKeyJINMBXZOMMXBME-UHFFFAOYSA-N
XLogP1.93
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid (CID 43477614) is 2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1Cn1c(=O)oc2ccccc21.
What is the InChIKey of 2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid?
The InChIKey is JINMBXZOMMXBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO5/c15-12(16)8-5-6-18-11(8)7-14-9-3-1-2-4-10(9)19-13(14)17/h1-6H,7H2,(H,15,16).
What are the key properties of 2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid?
2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid has a molecular weight of 259.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 43477614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).