2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid

C14H15NO4 — CID 82133006

IUPAC2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid
SMILESCc1cc(C)cc(OCc2nc(CC(=O)O)co2)c1
InChIInChI=1S/C14H15NO4/c1-9-3-10(2)5-12(4-9)18-8-13-15-11(7-19-13)6-14(16)17/h3-5,7H,6,8H2,1-2H3,(H,16,17)
InChIKeyCQWZDUJPIXQKFU-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.50
Rot. Bonds5

About 2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid

2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid (PubChem CID 82133006) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid
PubChem CID82133006
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid
SMILESCc1cc(C)cc(OCc2nc(CC(=O)O)co2)c1
InChIInChI=1S/C14H15NO4/c1-9-3-10(2)5-12(4-9)18-8-13-15-11(7-19-13)6-14(16)17/h3-5,7H,6,8H2,1-2H3,(H,16,17)
InChIKeyCQWZDUJPIXQKFU-UHFFFAOYSA-N
XLogP2.50
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid (CID 82133006) is 2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid is Cc1cc(C)cc(OCc2nc(CC(=O)O)co2)c1.
What is the InChIKey of 2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid?
The InChIKey is CQWZDUJPIXQKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-3-10(2)5-12(4-9)18-8-13-15-11(7-19-13)6-14(16)17/h3-5,7H,6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid?
2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid has a molecular weight of 261.28 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 82133006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).