3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid

C15H11NO4 — CID 117098204

IUPAC3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid
SMILESO=C(O)c1cccc(COc2ccc3ocnc3c2)c1
InChIInChI=1S/C15H11NO4/c17-15(18)11-3-1-2-10(6-11)8-19-12-4-5-14-13(7-12)16-9-20-14/h1-7,9H,8H2,(H,17,18)
InChIKeyUNCGZIBUXUMYON-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.11
Rot. Bonds4

About 3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid

3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid (PubChem CID 117098204) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid.

Molecular Properties

Compound Name3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid
PubChem CID117098204
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid
SMILESO=C(O)c1cccc(COc2ccc3ocnc3c2)c1
InChIInChI=1S/C15H11NO4/c17-15(18)11-3-1-2-10(6-11)8-19-12-4-5-14-13(7-12)16-9-20-14/h1-7,9H,8H2,(H,17,18)
InChIKeyUNCGZIBUXUMYON-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

3-(1-benzofuran-6-yloxymethyl)benzoic acid
CID 155153911
N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388232
3-[(4-phenylphenoxy)methyl]benzoic acid
CID 18707489
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
3-[(4-ethylphenoxy)methyl]benzoic acid
CID 891200
3-[(2-methyl-1,3-benzothiazol-6-yl)oxymethyl]benzoic acid
CID 82189809
3-[(1,3-benzoxazol-6-ylamino)methyl]benzoic acid
CID 115221776
3-(isoquinolin-7-yloxymethyl)benzoic acid
CID 155153998
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
3-[(4-nitrophenoxy)methyl]benzoic acid
CID 7015977
3-[[4-(2-carboxy-2-hydroxyethyl)phenoxy]methyl]benzoic acid
CID 141111716
3-[(3-nitrophenoxy)methyl]benzoic acid
CID 14974400

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid?
The IUPAC name of 3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid (CID 117098204) is 3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid.
What is the SMILES notation for 3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid?
The canonical SMILES for 3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid is O=C(O)c1cccc(COc2ccc3ocnc3c2)c1.
What is the InChIKey of 3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid?
The InChIKey is UNCGZIBUXUMYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-15(18)11-3-1-2-10(6-11)8-19-12-4-5-14-13(7-12)16-9-20-14/h1-7,9H,8H2,(H,17,18).
What are the key properties of 3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid?
3-(1,3-benzoxazol-5-yloxymethyl)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 3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid is sourced from PubChem (CID 117098204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).