2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid

C13H13NO4 — CID 3062295

IUPAC2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid
SMILESCCOc1cnc(-c2ccc(CC(=O)O)cc2)o1
InChIInChI=1S/C13H13NO4/c1-2-17-12-8-14-13(18-12)10-5-3-9(4-6-10)7-11(15)16/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyBDCKBJJYDVLYCH-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.37
Rot. Bonds5

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

2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid (PubChem CID 3062295) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid
PubChem CID3062295
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid
SMILESCCOc1cnc(-c2ccc(CC(=O)O)cc2)o1
InChIInChI=1S/C13H13NO4/c1-2-17-12-8-14-13(18-12)10-5-3-9(4-6-10)7-11(15)16/h3-6,8H,2,7H2,1H3,(H,15,16)
InChIKeyBDCKBJJYDVLYCH-UHFFFAOYSA-N
XLogP2.37
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid (CID 3062295) is 2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid is CCOc1cnc(-c2ccc(CC(=O)O)cc2)o1.
What is the InChIKey of 2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid?
The InChIKey is BDCKBJJYDVLYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-2-17-12-8-14-13(18-12)10-5-3-9(4-6-10)7-11(15)16/h3-6,8H,2,7H2,1H3,(H,15,16).
What are the key properties of 2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid?
2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethoxy-1,3-oxazol-2-yl)phenyl]acetic acid is sourced from PubChem (CID 3062295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).