5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole

C11H12FNO2 — CID 138964471

IUPAC5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(C2=NCC(CF)O2)cc1
InChIInChI=1S/C11H12FNO2/c1-14-9-4-2-8(3-5-9)11-13-7-10(6-12)15-11/h2-5,10H,6-7H2,1H3
InChIKeyQJTPFIISETXCEC-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.81
Rot. Bonds3

About 5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole

5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 138964471) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID138964471
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc(C2=NCC(CF)O2)cc1
InChIInChI=1S/C11H12FNO2/c1-14-9-4-2-8(3-5-9)11-13-7-10(6-12)15-11/h2-5,10H,6-7H2,1H3
InChIKeyQJTPFIISETXCEC-UHFFFAOYSA-N
XLogP1.81
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
CID 132564223
2-[4-(4-dodecoxyphenyl)phenyl]-5-ethyl-4,5-dihydro-1,3-oxazole
CID 67920084
5-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 57413607
2-(4-methoxyphenyl)-5-methylidene-4H-1,3-oxazole
CID 143124580
3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-5-yl]propan-1-amine
CID 115060752
3-[2-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-5-yl]propanoic acid
CID 136982319
4-[(5R)-5-(pyrrolidin-1-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]aniline;hydrochloride
CID 24828604
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11041952
(5R)-5-(bromomethyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994013
3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole
CID 590944
[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11310285
1-[2-cyclohexyl-5-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 171982109

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole (CID 138964471) is 5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole is COc1ccc(C2=NCC(CF)O2)cc1.
What is the InChIKey of 5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is QJTPFIISETXCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-14-9-4-2-8(3-5-9)11-13-7-10(6-12)15-11/h2-5,10H,6-7H2,1H3.
What are the key properties of 5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole?
5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 209.22 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 138964471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).