2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole

C10H10FNO — CID 22006286

IUPAC2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(c2ccc(F)cc2)=N1
InChIInChI=1S/C10H10FNO/c1-7-6-13-10(12-7)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3
InChIKeySKGIOJSKHCDRGC-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.99
Rot. Bonds1

About 2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole

2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 22006286) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole
PubChem CID22006286
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1COC(c2ccc(F)cc2)=N1
InChIInChI=1S/C10H10FNO/c1-7-6-13-10(12-7)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3
InChIKeySKGIOJSKHCDRGC-UHFFFAOYSA-N
XLogP1.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole (CID 22006286) is 2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole is CC1COC(c2ccc(F)cc2)=N1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is SKGIOJSKHCDRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-7-6-13-10(12-7)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole?
2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 179.19 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22006286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).