4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid

C16H9Cl2NO4 — CID 14071832

IUPAC4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid
SMILESO=C(O)C1Cc2c(c(Cl)c(Cl)c3nc(-c4ccccc4)oc23)O1
InChIInChI=1S/C16H9Cl2NO4/c17-10-11(18)13-8(6-9(22-13)16(20)21)14-12(10)19-15(23-14)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,20,21)
InChIKeyHITNACNUGCINNG-UHFFFAOYSA-N
MW350.16 g/mol
LogP4.19
Rot. Bonds2

About 4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid

4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid (PubChem CID 14071832) has the molecular formula C16H9Cl2NO4 and a molecular weight of 350.16 g/mol. Its IUPAC name is 4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid.

Molecular Properties

Compound Name4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid
PubChem CID14071832
Molecular FormulaC16H9Cl2NO4
Molecular Weight350.16 g/mol
Exact Mass348.99
IUPAC Name4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid
SMILESO=C(O)C1Cc2c(c(Cl)c(Cl)c3nc(-c4ccccc4)oc23)O1
InChIInChI=1S/C16H9Cl2NO4/c17-10-11(18)13-8(6-9(22-13)16(20)21)14-12(10)19-15(23-14)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,20,21)
InChIKeyHITNACNUGCINNG-UHFFFAOYSA-N
XLogP4.19
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 134923956
5-benzoyl-4,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 14348771
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
4-chloro-2-phenyl-1,3-oxazol-5-amine
CID 69335141
5-chloro-2-phenyl-1,3-oxazol-4-ol
CID 141006928
2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole-5-carboxylic acid
CID 82293582
4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
CID 114374125
5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 62586319
8-chloro-5-fluoro-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
CID 114517223
4-phenyloxetane-2-carboxylic acid
CID 20744932
4-amino-7-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 82373096
N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide
CID 25010438

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid?
The IUPAC name of 4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid (CID 14071832) is 4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid.
What is the SMILES notation for 4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid?
The canonical SMILES for 4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid is O=C(O)C1Cc2c(c(Cl)c(Cl)c3nc(-c4ccccc4)oc23)O1.
What is the InChIKey of 4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid?
The InChIKey is HITNACNUGCINNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO4/c17-10-11(18)13-8(6-9(22-13)16(20)21)14-12(10)19-15(23-14)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,20,21).
What are the key properties of 4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid?
4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid has a molecular weight of 350.16 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-phenyl-7,8-dihydrofuro[2,3-g][1,3]benzoxazole-7-carboxylic acid is sourced from PubChem (CID 14071832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).