2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid

C21H14N2O4 — CID 25158917

IUPAC2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid
SMILESO=C(Nc1ccccc1-c1nc2c(C(=O)O)cccc2o1)c1ccccc1
InChIInChI=1S/C21H14N2O4/c24-19(13-7-2-1-3-8-13)22-16-11-5-4-9-14(16)20-23-18-15(21(25)26)10-6-12-17(18)27-20/h1-12H,(H,22,24)(H,25,26)
InChIKeyFIEWOUZYTHWIGD-UHFFFAOYSA-N
MW358.35 g/mol
LogP4.45
Rot. Bonds4

About 2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid

2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid (PubChem CID 25158917) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid
PubChem CID25158917
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Name2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid
SMILESO=C(Nc1ccccc1-c1nc2c(C(=O)O)cccc2o1)c1ccccc1
InChIInChI=1S/C21H14N2O4/c24-19(13-7-2-1-3-8-13)22-16-11-5-4-9-14(16)20-23-18-15(21(25)26)10-6-12-17(18)27-20/h1-12H,(H,22,24)(H,25,26)
InChIKeyFIEWOUZYTHWIGD-UHFFFAOYSA-N
XLogP4.45
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid?
The IUPAC name of 2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid (CID 25158917) is 2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid is O=C(Nc1ccccc1-c1nc2c(C(=O)O)cccc2o1)c1ccccc1.
What is the InChIKey of 2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid?
The InChIKey is FIEWOUZYTHWIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c24-19(13-7-2-1-3-8-13)22-16-11-5-4-9-14(16)20-23-18-15(21(25)26)10-6-12-17(18)27-20/h1-12H,(H,22,24)(H,25,26).
What are the key properties of 2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid?
2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid has a molecular weight of 358.35 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzamidophenyl)-1,3-benzoxazole-4-carboxylic acid is sourced from PubChem (CID 25158917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).