2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid

C12H11NO4 — CID 716047

IUPAC2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid
SMILESCc1ccc(OCC(=O)O)c(-c2ccno2)c1
InChIInChI=1S/C12H11NO4/c1-8-2-3-10(16-7-12(14)15)9(6-8)11-4-5-13-17-11/h2-6H,7H2,1H3,(H,14,15)
InChIKeyVCCXXKQGMSXFAD-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.11
Rot. Bonds4

About 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid

2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid (PubChem CID 716047) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid
PubChem CID716047
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid
SMILESCc1ccc(OCC(=O)O)c(-c2ccno2)c1
InChIInChI=1S/C12H11NO4/c1-8-2-3-10(16-7-12(14)15)9(6-8)11-4-5-13-17-11/h2-6H,7H2,1H3,(H,14,15)
InChIKeyVCCXXKQGMSXFAD-UHFFFAOYSA-N
XLogP2.11
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid (CID 716047) is 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid is Cc1ccc(OCC(=O)O)c(-c2ccno2)c1.
What is the InChIKey of 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid?
The InChIKey is VCCXXKQGMSXFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-8-2-3-10(16-7-12(14)15)9(6-8)11-4-5-13-17-11/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid?
2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid has a molecular weight of 233.22 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetic acid is sourced from PubChem (CID 716047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).