2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid

C17H12FNO4 — CID 59384660

IUPAC2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccccc1O
InChIInChI=1S/C17H12FNO4/c18-11-7-5-10(6-8-11)17-19-13(9-15(21)22)16(23-17)12-3-1-2-4-14(12)20/h1-8,20H,9H2,(H,21,22)
InChIKeyZKPVXPLKUBPZQE-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.48
Rot. Bonds4

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

2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid (PubChem CID 59384660) has the molecular formula C17H12FNO4 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid
PubChem CID59384660
Molecular FormulaC17H12FNO4
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC Name2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccccc1O
InChIInChI=1S/C17H12FNO4/c18-11-7-5-10(6-8-11)17-19-13(9-15(21)22)16(23-17)12-3-1-2-4-14(12)20/h1-8,20H,9H2,(H,21,22)
InChIKeyZKPVXPLKUBPZQE-UHFFFAOYSA-N
XLogP3.48
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid (CID 59384660) is 2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid is O=C(O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccccc1O.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid?
The InChIKey is ZKPVXPLKUBPZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO4/c18-11-7-5-10(6-8-11)17-19-13(9-15(21)22)16(23-17)12-3-1-2-4-14(12)20/h1-8,20H,9H2,(H,21,22).
What are the key properties of 2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid?
2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid has a molecular weight of 313.28 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5-(2-hydroxyphenyl)-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 59384660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).