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

C11H10FNO2 — CID 53219249

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol
SMILESCc1noc(C)c1-c1ccc(O)cc1F
InChIInChI=1S/C11H10FNO2/c1-6-11(7(2)15-13-6)9-4-3-8(14)5-10(9)12/h3-5,14H,1-2H3
InChIKeyLBPUDGYOCLQIFV-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.80
Rot. Bonds1

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

4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol (PubChem CID 53219249) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol
PubChem CID53219249
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol
SMILESCc1noc(C)c1-c1ccc(O)cc1F
InChIInChI=1S/C11H10FNO2/c1-6-11(7(2)15-13-6)9-4-3-8(14)5-10(9)12/h3-5,14H,1-2H3
InChIKeyLBPUDGYOCLQIFV-UHFFFAOYSA-N
XLogP2.80
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol (CID 53219249) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol is Cc1noc(C)c1-c1ccc(O)cc1F.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol?
The InChIKey is LBPUDGYOCLQIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-6-11(7(2)15-13-6)9-4-3-8(14)5-10(9)12/h3-5,14H,1-2H3.
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol has a molecular weight of 207.20 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluorophenol is sourced from PubChem (CID 53219249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).