2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid

C19H14N2O5 — CID 177195284

IUPAC2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid
SMILESCN(C)C(=O)c1ccc2oc(-c3nc4ccc(C(=O)O)cc4o3)cc2c1
InChIInChI=1S/C19H14N2O5/c1-21(2)18(22)10-4-6-14-12(7-10)9-16(25-14)17-20-13-5-3-11(19(23)24)8-15(13)26-17/h3-9H,1-2H3,(H,23,24)
InChIKeySJVJVTLPLSFORV-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.64
Rot. Bonds3

About 2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid

2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid (PubChem CID 177195284) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid
PubChem CID177195284
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid
SMILESCN(C)C(=O)c1ccc2oc(-c3nc4ccc(C(=O)O)cc4o3)cc2c1
InChIInChI=1S/C19H14N2O5/c1-21(2)18(22)10-4-6-14-12(7-10)9-16(25-14)17-20-13-5-3-11(19(23)24)8-15(13)26-17/h3-9H,1-2H3,(H,23,24)
InChIKeySJVJVTLPLSFORV-UHFFFAOYSA-N
XLogP3.64
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(oxan-4-yl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid
CID 177195282
2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid
CID 81357611
2-(4-aminophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 82363794
2-(1-methylpyrrol-3-yl)-1,3-benzoxazole-6-carboxylic acid
CID 138543177
2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81357419
2-(4-ethylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358248
2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-6-carboxylic acid
CID 81357317
2-(4,5-dibromothiophen-2-yl)-1,3-benzoxazole-6-carboxylic acid
CID 81357319
2-(3,5-diamino-1-benzofuran-2-yl)-1,3-benzoxazole-6-carboxylic acid
CID 177195365
2-(4-bromo-2,6-difluorophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81339927
2-(3,4-difluorophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 59626001
2-(N-methylanilino)-1,3-benzoxazole-6-carboxylic acid
CID 116690397

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid (CID 177195284) is 2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid is CN(C)C(=O)c1ccc2oc(-c3nc4ccc(C(=O)O)cc4o3)cc2c1.
What is the InChIKey of 2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is SJVJVTLPLSFORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c1-21(2)18(22)10-4-6-14-12(7-10)9-16(25-14)17-20-13-5-3-11(19(23)24)8-15(13)26-17/h3-9H,1-2H3,(H,23,24).
What are the key properties of 2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid?
2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 350.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 177195284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).