2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid

C15H11NO4 — CID 43214774

IUPAC2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCc1nc2ccccc2o1
InChIInChI=1S/C15H11NO4/c17-15(18)10-5-1-3-7-12(10)19-9-14-16-11-6-2-4-8-13(11)20-14/h1-8H,9H2,(H,17,18)
InChIKeyGLNUFYGPJQUITE-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.11
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid

2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid (PubChem CID 43214774) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid
PubChem CID43214774
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCc1nc2ccccc2o1
InChIInChI=1S/C15H11NO4/c17-15(18)10-5-1-3-7-12(10)19-9-14-16-11-6-2-4-8-13(11)20-14/h1-8H,9H2,(H,17,18)
InChIKeyGLNUFYGPJQUITE-UHFFFAOYSA-N
XLogP3.11
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-ylmethoxy)-N-phenylbenzamide
CID 38902837
1,3-benzoxazol-2-ylmethyl 2-(2-phenoxyethoxy)benzoate
CID 9405475
4-(1,3-benzoxazol-2-ylmethoxy)-2-methylbenzoic acid
CID 107671276
2-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62698186
1,3-benzoxazol-2-ylmethyl 2-(difluoromethoxy)benzoate
CID 18192162
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole
CID 4963555
2-[3-[1,3-benzoxazol-2-yl(propyl)amino]propoxy]benzoic acid
CID 58678491
2-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]acetic acid
CID 61398083
sodium 2-(1,3-benzoxazol-2-yl)acetate
CID 75531246
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
4-(1,3-benzoxazol-2-ylmethoxy)aniline
CID 54908622

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid?
The IUPAC name of 2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid (CID 43214774) is 2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid is O=C(O)c1ccccc1OCc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid?
The InChIKey is GLNUFYGPJQUITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-15(18)10-5-1-3-7-12(10)19-9-14-16-11-6-2-4-8-13(11)20-14/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid?
2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid has a molecular weight of 269.26 g/mol, XLogP of 3.11, 4 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-ylmethoxy)benzoic acid is sourced from PubChem (CID 43214774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).