2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid

C19H11NO4 — CID 15418384

IUPAC2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1nc2c(ccc3ccccc32)o1
InChIInChI=1S/C19H11NO4/c21-17(13-7-3-4-8-14(13)19(22)23)18-20-16-12-6-2-1-5-11(12)9-10-15(16)24-18/h1-10H,(H,22,23)
InChIKeyBBFYSQANKIFPCP-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.91
Rot. Bonds3

About 2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid

2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid (PubChem CID 15418384) has the molecular formula C19H11NO4 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid
PubChem CID15418384
Molecular FormulaC19H11NO4
Molecular Weight317.30 g/mol
Exact Mass317.07
IUPAC Name2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1nc2c(ccc3ccccc32)o1
InChIInChI=1S/C19H11NO4/c21-17(13-7-3-4-8-14(13)19(22)23)18-20-16-12-6-2-1-5-11(12)9-10-15(16)24-18/h1-10H,(H,22,23)
InChIKeyBBFYSQANKIFPCP-UHFFFAOYSA-N
XLogP3.91
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl benzo[e][1,3]benzoxazole-2-carboxylate
CID 83387453
bis(2-benzo[e][1,3]benzoxazol-2-ylphenol);palladium
CID 139246627
1-benzo[e][1,3]benzoxazol-2-yl-3,3-dimethylbutan-2-one
CID 122365402
naphthalene;phthalic acid
CID 158069637
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)naphthalene-1-carboxamide
CID 3314222
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
methyl 5-benzo[e][1,3]benzoxazol-2-ylthiophene-2-carboxylate
CID 165354587
naphthalene-1,2-dicarboxylic acid;hydrate
CID 67377556
naphthalene-1,2-dicarboxylic acid;hydrochloride
CID 67387751
2-(5-phenyl-1,3-oxazole-2-carbonyl)benzoic acid
CID 134122364
2-(5-methoxy-1-benzofuran-2-yl)benzo[h]quinoline-3-carboxylic acid
CID 57381256
hydrazine;naphthalene-1,2-dicarboxylic acid
CID 19968700

Frequently Asked Questions

What is the IUPAC name of 2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid?
The IUPAC name of 2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid (CID 15418384) is 2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid.
What is the SMILES notation for 2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid?
The canonical SMILES for 2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1nc2c(ccc3ccccc32)o1.
What is the InChIKey of 2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid?
The InChIKey is BBFYSQANKIFPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO4/c21-17(13-7-3-4-8-14(13)19(22)23)18-20-16-12-6-2-1-5-11(12)9-10-15(16)24-18/h1-10H,(H,22,23).
What are the key properties of 2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid?
2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid has a molecular weight of 317.30 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzo[e][1,3]benzoxazole-2-carbonyl)benzoic acid is sourced from PubChem (CID 15418384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).