2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid

C14H15NO3 — CID 82478865

IUPAC2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid
SMILESCc1cc(C)c(-c2nc(CC(=O)O)co2)c(C)c1
InChIInChI=1S/C14H15NO3/c1-8-4-9(2)13(10(3)5-8)14-15-11(7-18-14)6-12(16)17/h4-5,7H,6H2,1-3H3,(H,16,17)
InChIKeyHSTRMHCFVMMBOP-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.89
Rot. Bonds3

About 2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid

2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid (PubChem CID 82478865) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid
PubChem CID82478865
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid
SMILESCc1cc(C)c(-c2nc(CC(=O)O)co2)c(C)c1
InChIInChI=1S/C14H15NO3/c1-8-4-9(2)13(10(3)5-8)14-15-11(7-18-14)6-12(16)17/h4-5,7H,6H2,1-3H3,(H,16,17)
InChIKeyHSTRMHCFVMMBOP-UHFFFAOYSA-N
XLogP2.89
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid (CID 82478865) is 2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid is Cc1cc(C)c(-c2nc(CC(=O)O)co2)c(C)c1.
What is the InChIKey of 2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid?
The InChIKey is HSTRMHCFVMMBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8-4-9(2)13(10(3)5-8)14-15-11(7-18-14)6-12(16)17/h4-5,7H,6H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid?
2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid has a molecular weight of 245.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4,6-trimethylphenyl)-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 82478865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).