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

C6H6FNO3 — CID 84764057

IUPAC2-[4-(fluoromethyl)-1,3-oxazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(CF)co1
InChIInChI=1S/C6H6FNO3/c7-2-4-3-11-5(8-4)1-6(9)10/h3H,1-2H2,(H,9,10)
InChIKeyKOHGOTYQIUKUGT-UHFFFAOYSA-N
MW159.12 g/mol
LogP0.77
Rot. Bonds3

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

2-[4-(fluoromethyl)-1,3-oxazol-2-yl]acetic acid (PubChem CID 84764057) has the molecular formula C6H6FNO3 and a molecular weight of 159.12 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)-1,3-oxazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(fluoromethyl)-1,3-oxazol-2-yl]acetic acid
PubChem CID84764057
Molecular FormulaC6H6FNO3
Molecular Weight159.12 g/mol
Exact Mass159.03
IUPAC Name2-[4-(fluoromethyl)-1,3-oxazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(CF)co1
InChIInChI=1S/C6H6FNO3/c7-2-4-3-11-5(8-4)1-6(9)10/h3H,1-2H2,(H,9,10)
InChIKeyKOHGOTYQIUKUGT-UHFFFAOYSA-N
XLogP0.77
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)-1,3-oxazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(fluoromethyl)-1,3-oxazol-2-yl]acetic acid (CID 84764057) is 2-[4-(fluoromethyl)-1,3-oxazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(fluoromethyl)-1,3-oxazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(fluoromethyl)-1,3-oxazol-2-yl]acetic acid is O=C(O)Cc1nc(CF)co1.
What is the InChIKey of 2-[4-(fluoromethyl)-1,3-oxazol-2-yl]acetic acid?
The InChIKey is KOHGOTYQIUKUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO3/c7-2-4-3-11-5(8-4)1-6(9)10/h3H,1-2H2,(H,9,10).
What are the key properties of 2-[4-(fluoromethyl)-1,3-oxazol-2-yl]acetic acid?
2-[4-(fluoromethyl)-1,3-oxazol-2-yl]acetic acid has a molecular weight of 159.12 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)-1,3-oxazol-2-yl]acetic acid is sourced from PubChem (CID 84764057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).