2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid

C15H11NO4 — CID 61395477

IUPAC2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2nc3ccccc3o2)cc1
InChIInChI=1S/C15H11NO4/c17-14(18)9-10-5-7-11(8-6-10)19-15-16-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H,17,18)
InChIKeyBKMWGLDDYLCQQQ-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.25
Rot. Bonds4

About 2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid

2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid (PubChem CID 61395477) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid
PubChem CID61395477
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2nc3ccccc3o2)cc1
InChIInChI=1S/C15H11NO4/c17-14(18)9-10-5-7-11(8-6-10)19-15-16-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H,17,18)
InChIKeyBKMWGLDDYLCQQQ-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol
CID 154645805
N-[4-(1,3-benzoxazol-2-yloxy)phenyl]-2-methylsulfanylacetamide
CID 47983061
[3-(1,3-benzoxazol-2-yloxy)phenyl]methanol
CID 79869656
5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid
CID 63850200
2-[4-(1,3-benzoxazol-2-ylmethylsulfanyl)phenyl]acetic acid
CID 64929354
2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole
CID 11393104
3-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl-cyclobutylamino]propanoic acid
CID 91530631
2-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]acetic acid
CID 61398083
4-[4-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperazine-1-carbonyl]benzoic acid
CID 90958847
(2R)-2-[[4-[4-(1,3-benzoxazol-2-yloxy)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 67110806
N-[3-[4-(1,3-benzoxazol-2-yloxy)phenyl]propyl]-N-propylbutan-2-amine
CID 71228180

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid (CID 61395477) is 2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid is O=C(O)Cc1ccc(Oc2nc3ccccc3o2)cc1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid?
The InChIKey is BKMWGLDDYLCQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-14(18)9-10-5-7-11(8-6-10)19-15-16-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H,17,18).
What are the key properties of 2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid?
2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid has a molecular weight of 269.26 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid is sourced from PubChem (CID 61395477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).