2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid

C14H14ClNO4 — CID 14801708

IUPAC2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid
SMILESCC(C)(OCc1coc(-c2ccc(Cl)cc2)n1)C(=O)O
InChIInChI=1S/C14H14ClNO4/c1-14(2,13(17)18)20-8-11-7-19-12(16-11)9-3-5-10(15)6-4-9/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyPMYRAWVMYHFDAQ-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.37
Rot. Bonds5

About 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid

2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid (PubChem CID 14801708) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid
PubChem CID14801708
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid
SMILESCC(C)(OCc1coc(-c2ccc(Cl)cc2)n1)C(=O)O
InChIInChI=1S/C14H14ClNO4/c1-14(2,13(17)18)20-8-11-7-19-12(16-11)9-3-5-10(15)6-4-9/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyPMYRAWVMYHFDAQ-UHFFFAOYSA-N
XLogP3.37
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid (CID 14801708) is 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid is CC(C)(OCc1coc(-c2ccc(Cl)cc2)n1)C(=O)O.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid?
The InChIKey is PMYRAWVMYHFDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4/c1-14(2,13(17)18)20-8-11-7-19-12(16-11)9-3-5-10(15)6-4-9/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid?
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid has a molecular weight of 295.72 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 14801708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).