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

C5H8FNO — CID 142566381

IUPAC5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(CF)C1
InChIInChI=1S/C5H8FNO/c1-4-2-5(3-6)8-7-4/h5H,2-3H2,1H3
InChIKeyNWYKESVSIRYIII-UHFFFAOYSA-N
MW117.12 g/mol
LogP1.12
Rot. Bonds1

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

5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 142566381) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID142566381
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(CF)C1
InChIInChI=1S/C5H8FNO/c1-4-2-5(3-6)8-7-4/h5H,2-3H2,1H3
InChIKeyNWYKESVSIRYIII-UHFFFAOYSA-N
XLogP1.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12228202
5-Methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 20691962
Isoxazole, 4,5-dihydro-3-methyl-5-(trifluoromethyl)-
CID 59168906
3-Ethyl-5-fluoro-4,5-dihydro-1,2-oxazole
CID 67989550
3-(Fluoromethyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole
CID 71663143
(Z)-1-fluoro-N-propan-2-yloxybutan-2-imine
CID 88070533
(5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 89225275
5-Fluoro-3-methyl-4,5-dihydro-1,2-oxazole
CID 90455407
3-Ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 117837233
(5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 142079595
5-(Difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 142566225
2,2-Difluoropropane;3-methyl-4,5-dihydro-1,2-oxazole
CID 145548102

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole (CID 142566381) is 5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NOC(CF)C1.
What is the InChIKey of 5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is NWYKESVSIRYIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c1-4-2-5(3-6)8-7-4/h5H,2-3H2,1H3.
What are the key properties of 5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 117.12 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 142566381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).