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

C14H8ClNO4 — CID 116690057

IUPAC2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(Oc3ccc(Cl)cc3)oc2c1
InChIInChI=1S/C14H8ClNO4/c15-9-2-4-10(5-3-9)19-14-16-11-6-1-8(13(17)18)7-12(11)20-14/h1-7H,(H,17,18)
InChIKeySOSCSRDOGCNJIK-UHFFFAOYSA-N
MW289.67 g/mol
LogP3.97
Rot. Bonds3

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

2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid (PubChem CID 116690057) has the molecular formula C14H8ClNO4 and a molecular weight of 289.67 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid
PubChem CID116690057
Molecular FormulaC14H8ClNO4
Molecular Weight289.67 g/mol
Exact Mass289.01
IUPAC Name2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(Oc3ccc(Cl)cc3)oc2c1
InChIInChI=1S/C14H8ClNO4/c15-9-2-4-10(5-3-9)19-14-16-11-6-1-8(13(17)18)7-12(11)20-14/h1-7H,(H,17,18)
InChIKeySOSCSRDOGCNJIK-UHFFFAOYSA-N
XLogP3.97
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.67
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tafamidis
CID 11001318
Benoxaprofen
CID 39941
2-(2,6-Dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 5327160
4-(5-Chloro-1,3-benzoxazol-2-YL)phenylamine
CID 721058
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 401582
2-Methyl-1,3-benzoxazole-6-carboxylic acid
CID 18475689
Tafamidis(1-)
CID 71772370
Methyl 2-(3,5-dichlorophenyl)-6-benzoxazolecarboxylate
CID 118053752
2-Phenyl-1,3-benzoxazole-6-carboxylic acid
CID 10900714
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 936847
2-(2-Chlorophenyl)-6-methyl-1,3-benzoxazole
CID 482244
7-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-alpha-methyl-
CID 42874

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid (CID 116690057) is 2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid is O=C(O)c1ccc2nc(Oc3ccc(Cl)cc3)oc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is SOSCSRDOGCNJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO4/c15-9-2-4-10(5-3-9)19-14-16-11-6-1-8(13(17)18)7-12(11)20-14/h1-7H,(H,17,18).
What are the key properties of 2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid?
2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 289.67 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 116690057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).