6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid

C15H7Cl2N3O3 — CID 11739520

IUPAC6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c2nc(Nc3cccc(Cl)c3Cl)oc2c1
InChIInChI=1S/C15H7Cl2N3O3/c16-9-2-1-3-10(12(9)17)19-15-20-13-8(14(21)22)4-7(6-18)5-11(13)23-15/h1-5H,(H,19,20)(H,21,22)
InChIKeyUGBBYYKMGBMQPF-UHFFFAOYSA-N
MW348.15 g/mol
LogP4.45
Rot. Bonds3

About 6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid

6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid (PubChem CID 11739520) has the molecular formula C15H7Cl2N3O3 and a molecular weight of 348.15 g/mol. Its IUPAC name is 6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid.

Molecular Properties

Compound Name6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid
PubChem CID11739520
Molecular FormulaC15H7Cl2N3O3
Molecular Weight348.15 g/mol
Exact Mass346.99
IUPAC Name6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c2nc(Nc3cccc(Cl)c3Cl)oc2c1
InChIInChI=1S/C15H7Cl2N3O3/c16-9-2-1-3-10(12(9)17)19-15-20-13-8(14(21)22)4-7(6-18)5-11(13)23-15/h1-5H,(H,19,20)(H,21,22)
InChIKeyUGBBYYKMGBMQPF-UHFFFAOYSA-N
XLogP4.45
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.15
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
2-[[6-(2,3-dichloroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194960
2-amino-5-(2,3-dichloroanilino)benzoic acid
CID 54888225
5-chloro-2-(2,3-dichloroanilino)pyridine-4-carboxylic acid
CID 114919169
2-(2,3-dichloroanilino)-4-hydroxy-1H-benzimidazole-5-carboxylic acid
CID 11473191
4-cyano-N-(2,3-dichlorophenyl)benzamide
CID 23761721
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide
CID 109270661
N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide
CID 109294627
2-chloro-5-cyano-3-(hydroxymethyl)benzoic acid
CID 118991540
2-(3-chloro-4-iodophenyl)-1,3-benzoxazole-4-carboxylic acid
CID 103213614
4-(2-chloroacetyl)-1,3-benzoxazole-2-carbonitrile
CID 131374256
6-(2,3-dichloroanilino)pyrazine-2-carboxylic acid
CID 66458555

Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid?
The IUPAC name of 6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid (CID 11739520) is 6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid.
What is the SMILES notation for 6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid?
The canonical SMILES for 6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid is N#Cc1cc(C(=O)O)c2nc(Nc3cccc(Cl)c3Cl)oc2c1.
What is the InChIKey of 6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid?
The InChIKey is UGBBYYKMGBMQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2N3O3/c16-9-2-1-3-10(12(9)17)19-15-20-13-8(14(21)22)4-7(6-18)5-11(13)23-15/h1-5H,(H,19,20)(H,21,22).
What are the key properties of 6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid?
6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid has a molecular weight of 348.15 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-2-(2,3-dichloroanilino)-1,3-benzoxazole-4-carboxylic acid is sourced from PubChem (CID 11739520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).