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

C11H10FNO3 — CID 42647391

IUPAC2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C11H10FNO3/c12-8-3-1-7(2-4-8)10-5-9(16-13-10)6-11(14)15/h1-4,9H,5-6H2,(H,14,15)
InChIKeyXVQKVRGAKDICRD-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.79
Rot. Bonds3

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

2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid (PubChem CID 42647391) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
PubChem CID42647391
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
SMILESO=C(O)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C11H10FNO3/c12-8-3-1-7(2-4-8)10-5-9(16-13-10)6-11(14)15/h1-4,9H,5-6H2,(H,14,15)
InChIKeyXVQKVRGAKDICRD-UHFFFAOYSA-N
XLogP1.79
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid (CID 42647391) is 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid is O=C(O)CC1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
The InChIKey is XVQKVRGAKDICRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-8-3-1-7(2-4-8)10-5-9(16-13-10)6-11(14)15/h1-4,9H,5-6H2,(H,14,15).
What are the key properties of 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid?
2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid has a molecular weight of 223.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 42647391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).