2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid

C15H11NO4 — CID 67428033

IUPAC2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C15H11NO4/c17-14(18)9-19-11-5-3-4-10(8-11)15-16-12-6-1-2-7-13(12)20-15/h1-8H,9H2,(H,17,18)
InChIKeyNRKLZYPDCFDFAM-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.96
Rot. Bonds4

About 2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid

2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid (PubChem CID 67428033) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid
PubChem CID67428033
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C15H11NO4/c17-14(18)9-19-11-5-3-4-10(8-11)15-16-12-6-1-2-7-13(12)20-15/h1-8H,9H2,(H,17,18)
InChIKeyNRKLZYPDCFDFAM-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid (CID 67428033) is 2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid is O=C(O)COc1cccc(-c2nc3ccccc3o2)c1.
What is the InChIKey of 2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid?
The InChIKey is NRKLZYPDCFDFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-14(18)9-19-11-5-3-4-10(8-11)15-16-12-6-1-2-7-13(12)20-15/h1-8H,9H2,(H,17,18).
What are the key properties of 2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid?
2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid has a molecular weight of 269.26 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid is sourced from PubChem (CID 67428033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).