2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid

C15H11NO4 — CID 61396354

IUPAC2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid
SMILESCc1ccc(Oc2nc3ccccc3o2)c(C(=O)O)c1
InChIInChI=1S/C15H11NO4/c1-9-6-7-12(10(8-9)14(17)18)19-15-16-11-4-2-3-5-13(11)20-15/h2-8H,1H3,(H,17,18)
InChIKeyPRGHCBLCCJXYJT-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.63
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid

2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid (PubChem CID 61396354) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid
PubChem CID61396354
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid
SMILESCc1ccc(Oc2nc3ccccc3o2)c(C(=O)O)c1
InChIInChI=1S/C15H11NO4/c1-9-6-7-12(10(8-9)14(17)18)19-15-16-11-4-2-3-5-13(11)20-15/h2-8H,1H3,(H,17,18)
InChIKeyPRGHCBLCCJXYJT-UHFFFAOYSA-N
XLogP3.63
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid
CID 61395834
2-(1,3-benzoxazol-2-yloxy)-5-iodobenzoic acid
CID 107732420
2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid
CID 61395727
5-methyl-2-quinazolin-2-yloxybenzoic acid
CID 114789657
2-(1,3-benzothiazol-2-yloxy)-5-methylbenzoic acid
CID 61396339
2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole
CID 104707726
5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid
CID 63850200
4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline
CID 114417599
2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
CID 55192437
5-methyl-2-phthalazin-1-yloxybenzoic acid
CID 61396297
2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid
CID 61396292
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid?
The IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid (CID 61396354) is 2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid?
The canonical SMILES for 2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid is Cc1ccc(Oc2nc3ccccc3o2)c(C(=O)O)c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid?
The InChIKey is PRGHCBLCCJXYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-9-6-7-12(10(8-9)14(17)18)19-15-16-11-4-2-3-5-13(11)20-15/h2-8H,1H3,(H,17,18).
What are the key properties of 2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid?
2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid has a molecular weight of 269.26 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid is sourced from PubChem (CID 61396354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).