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

C11H12FNO — CID 166814570

IUPAC2-ethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCCC1=NCC(c2ccc(F)cc2)O1
InChIInChI=1S/C11H12FNO/c1-2-11-13-7-10(14-11)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3
InChIKeyYYVZFBXDQBORGS-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.71
Rot. Bonds2

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

2-ethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 166814570) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-ethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-ethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID166814570
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-ethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCCC1=NCC(c2ccc(F)cc2)O1
InChIInChI=1S/C11H12FNO/c1-2-11-13-7-10(14-11)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3
InChIKeyYYVZFBXDQBORGS-UHFFFAOYSA-N
XLogP2.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-ethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole (CID 166814570) is 2-ethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-ethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-ethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole is CCC1=NCC(c2ccc(F)cc2)O1.
What is the InChIKey of 2-ethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is YYVZFBXDQBORGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-2-11-13-7-10(14-11)8-3-5-9(12)6-4-8/h3-6,10H,2,7H2,1H3.
What are the key properties of 2-ethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole?
2-ethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 193.22 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 166814570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).