2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid

C12H11NO4 — CID 117094930

IUPAC2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2ccon2)cc1
InChIInChI=1S/C12H11NO4/c14-12(15)7-9-1-3-11(4-2-9)16-8-10-5-6-17-13-10/h1-6H,7-8H2,(H,14,15)
InChIKeyGGDXRWGCZLGKAA-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.88
Rot. Bonds5

About 2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid

2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid (PubChem CID 117094930) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid
PubChem CID117094930
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2ccon2)cc1
InChIInChI=1S/C12H11NO4/c14-12(15)7-9-1-3-11(4-2-9)16-8-10-5-6-17-13-10/h1-6H,7-8H2,(H,14,15)
InChIKeyGGDXRWGCZLGKAA-UHFFFAOYSA-N
XLogP1.88
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
2-[4-(furan-3-ylmethoxy)phenyl]acetic acid
CID 68666970
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CID 82866163
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
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2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
N-(2-hydroxyethyl)-N-methyl-4-(1,2-oxazol-3-ylmethoxy)benzamide
CID 75374011
2-[[4-(carboxymethyl)phenoxy]methyl]benzoic acid;methane
CID 21269133
2-[4-[(4-tert-butylphenyl)methoxy]phenyl]acetic acid
CID 45398570
2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
CID 20985349
3-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,2-oxazole
CID 141170966
2-[4-(imidazo[1,2-a]pyrimidin-2-ylmethoxy)phenyl]acetic acid
CID 43310274
2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetic acid
CID 43243859

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid?
The IUPAC name of 2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid (CID 117094930) is 2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid is O=C(O)Cc1ccc(OCc2ccon2)cc1.
What is the InChIKey of 2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid?
The InChIKey is GGDXRWGCZLGKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-12(15)7-9-1-3-11(4-2-9)16-8-10-5-6-17-13-10/h1-6H,7-8H2,(H,14,15).
What are the key properties of 2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid?
2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid has a molecular weight of 233.22 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid is sourced from PubChem (CID 117094930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).