3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid

C16H10FNO4 — CID 13343683

IUPAC3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid
SMILESO=C(O)C1Cc2cc3c(-c4ccccc4F)noc3cc2O1
InChIInChI=1S/C16H10FNO4/c17-11-4-2-1-3-9(11)15-10-5-8-6-14(16(19)20)21-12(8)7-13(10)22-18-15/h1-5,7,14H,6H2,(H,19,20)
InChIKeyBSULOYSUIFCJMA-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.02
Rot. Bonds2

About 3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid

3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid (PubChem CID 13343683) has the molecular formula C16H10FNO4 and a molecular weight of 299.26 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid
PubChem CID13343683
Molecular FormulaC16H10FNO4
Molecular Weight299.26 g/mol
Exact Mass299.06
IUPAC Name3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid
SMILESO=C(O)C1Cc2cc3c(-c4ccccc4F)noc3cc2O1
InChIInChI=1S/C16H10FNO4/c17-11-4-2-1-3-9(11)15-10-5-8-6-14(16(19)20)21-12(8)7-13(10)22-18-15/h1-5,7,14H,6H2,(H,19,20)
InChIKeyBSULOYSUIFCJMA-UHFFFAOYSA-N
XLogP3.02
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid (CID 13343683) is 3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid is O=C(O)C1Cc2cc3c(-c4ccccc4F)noc3cc2O1.
What is the InChIKey of 3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid?
The InChIKey is BSULOYSUIFCJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO4/c17-11-4-2-1-3-9(11)15-10-5-8-6-14(16(19)20)21-12(8)7-13(10)22-18-15/h1-5,7,14H,6H2,(H,19,20).
What are the key properties of 3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid?
3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid has a molecular weight of 299.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid is sourced from PubChem (CID 13343683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).