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

C11H12FNO — CID 101184937

IUPAC2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(CCC2=NCCO2)cc1
InChIInChI=1S/C11H12FNO/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-2,4-5H,3,6-8H2
InChIKeyXFYLUUWYEZYNMS-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.19
Rot. Bonds3

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

2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazole (PubChem CID 101184937) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazole
PubChem CID101184937
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(CCC2=NCCO2)cc1
InChIInChI=1S/C11H12FNO/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-2,4-5H,3,6-8H2
InChIKeyXFYLUUWYEZYNMS-UHFFFAOYSA-N
XLogP2.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
AG-H-02521
CID 5325154
(4S)-4-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1,3-oxazole
CID 72942282
2-Benzyl-4,5-dihydro-1,3-oxazole
CID 299603
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
Oxazole, 2-(3-fluorophenyl)-4,5-dihydro-
CID 11412578
2-Fluoro-1-(4,5-dihydrooxazol-2-yl)benzene
CID 54429599
2-(2-Phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
CID 134938644
2-benzyl-5,6-dihydro-4H-1,3-oxazine
CID 10702404
(s)-4-Benzyl-2-oxazoline
CID 11094940
(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole
CID 12694682

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazole (CID 101184937) is 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazole is Fc1ccc(CCC2=NCCO2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is XFYLUUWYEZYNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-2,4-5H,3,6-8H2.
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazole?
2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 193.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101184937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).