2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid

C15H10ClNO4 — CID 116690306

IUPAC2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid
SMILESCc1ccc(Cl)cc1Oc1nc2ccc(C(=O)O)cc2o1
InChIInChI=1S/C15H10ClNO4/c1-8-2-4-10(16)7-12(8)20-15-17-11-5-3-9(14(18)19)6-13(11)21-15/h2-7H,1H3,(H,18,19)
InChIKeyYSGZDAGDWJORBG-UHFFFAOYSA-N
MW303.70 g/mol
LogP4.28
Rot. Bonds3

About 2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid

2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid (PubChem CID 116690306) has the molecular formula C15H10ClNO4 and a molecular weight of 303.70 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid
PubChem CID116690306
Molecular FormulaC15H10ClNO4
Molecular Weight303.70 g/mol
Exact Mass303.03
IUPAC Name2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid
SMILESCc1ccc(Cl)cc1Oc1nc2ccc(C(=O)O)cc2o1
InChIInChI=1S/C15H10ClNO4/c1-8-2-4-10(16)7-12(8)20-15-17-11-5-3-9(14(18)19)6-13(11)21-15/h2-7H,1H3,(H,18,19)
InChIKeyYSGZDAGDWJORBG-UHFFFAOYSA-N
XLogP4.28
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11001318
Benoxaprofen
CID 39941
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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
7-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-alpha-methyl-
CID 42874
5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-
CID 3039778
(E)-3-(1,3-benzoxazol-2-yl)-4-(4-chlorophenyl)but-3-enoic acid
CID 6532813
2-(4-Chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
2-[3-(Trifluoromethyl)phenyl]benzoxazole-6-carboxylic acid
CID 10968797

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid (CID 116690306) is 2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid is Cc1ccc(Cl)cc1Oc1nc2ccc(C(=O)O)cc2o1.
What is the InChIKey of 2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is YSGZDAGDWJORBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO4/c1-8-2-4-10(16)7-12(8)20-15-17-11-5-3-9(14(18)19)6-13(11)21-15/h2-7H,1H3,(H,18,19).
What are the key properties of 2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid?
2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 303.70 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenoxy)-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 116690306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).