2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid

C16H11NO4 — CID 81333660

IUPAC2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid
SMILESO=C(O)c1cccc2nc(C3Cc4ccccc4O3)oc12
InChIInChI=1S/C16H11NO4/c18-16(19)10-5-3-6-11-14(10)21-15(17-11)13-8-9-4-1-2-7-12(9)20-13/h1-7,13H,8H2,(H,18,19)
InChIKeyJNNMQPROPLPSPM-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.20
Rot. Bonds2

About 2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid

2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid (PubChem CID 81333660) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid
PubChem CID81333660
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid
SMILESO=C(O)c1cccc2nc(C3Cc4ccccc4O3)oc12
InChIInChI=1S/C16H11NO4/c18-16(19)10-5-3-6-11-14(10)21-15(17-11)13-8-9-4-1-2-7-12(9)20-13/h1-7,13H,8H2,(H,18,19)
InChIKeyJNNMQPROPLPSPM-UHFFFAOYSA-N
XLogP3.20
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid (CID 81333660) is 2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid is O=C(O)c1cccc2nc(C3Cc4ccccc4O3)oc12.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid?
The InChIKey is JNNMQPROPLPSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c18-16(19)10-5-3-6-11-14(10)21-15(17-11)13-8-9-4-1-2-7-12(9)20-13/h1-7,13H,8H2,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid?
2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-yl)-1,3-benzoxazole-7-carboxylic acid is sourced from PubChem (CID 81333660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).