2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid

C15H11NO5 — CID 61395727

IUPAC2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1Oc1nc2ccccc2o1
InChIInChI=1S/C15H11NO5/c1-19-12-8-4-5-9(14(17)18)13(12)21-15-16-10-6-2-3-7-11(10)20-15/h2-8H,1H3,(H,17,18)
InChIKeyLGRGVVMHEYTDEO-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.33
Rot. Bonds4

About 2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid

2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid (PubChem CID 61395727) has the molecular formula C15H11NO5 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid
PubChem CID61395727
Molecular FormulaC15H11NO5
Molecular Weight285.26 g/mol
Exact Mass285.06
IUPAC Name2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1Oc1nc2ccccc2o1
InChIInChI=1S/C15H11NO5/c1-19-12-8-4-5-9(14(17)18)13(12)21-15-16-10-6-2-3-7-11(10)20-15/h2-8H,1H3,(H,17,18)
InChIKeyLGRGVVMHEYTDEO-UHFFFAOYSA-N
XLogP3.33
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid?
The IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid (CID 61395727) is 2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid?
The canonical SMILES for 2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid is COc1cccc(C(=O)O)c1Oc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid?
The InChIKey is LGRGVVMHEYTDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c1-19-12-8-4-5-9(14(17)18)13(12)21-15-16-10-6-2-3-7-11(10)20-15/h2-8H,1H3,(H,17,18).
What are the key properties of 2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid?
2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid has a molecular weight of 285.26 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid is sourced from PubChem (CID 61395727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).