2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid

C12H10FNO3 — CID 53225026

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid
SMILESCc1noc(C)c1-c1cc(F)ccc1C(=O)O
InChIInChI=1S/C12H10FNO3/c1-6-11(7(2)17-14-6)10-5-8(13)3-4-9(10)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyDWIYGBLZGHWSRE-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.80
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid

2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid (PubChem CID 53225026) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid
PubChem CID53225026
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid
SMILESCc1noc(C)c1-c1cc(F)ccc1C(=O)O
InChIInChI=1S/C12H10FNO3/c1-6-11(7(2)17-14-6)10-5-8(13)3-4-9(10)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyDWIYGBLZGHWSRE-UHFFFAOYSA-N
XLogP2.80
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid (CID 53225026) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid is Cc1noc(C)c1-c1cc(F)ccc1C(=O)O.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid?
The InChIKey is DWIYGBLZGHWSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-6-11(7(2)17-14-6)10-5-8(13)3-4-9(10)12(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid has a molecular weight of 235.21 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid is sourced from PubChem (CID 53225026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).