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

C5H8FNO — CID 89225275

IUPAC(5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@H](CF)C1
InChIInChI=1S/C5H8FNO/c1-4-2-5(3-6)8-7-4/h5H,2-3H2,1H3/t5-/m0/s1
InChIKeyNWYKESVSIRYIII-YFKPBYRVSA-N
MW117.12 g/mol
LogP1.12
Rot. Bonds1

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

(5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 89225275) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is (5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID89225275
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name(5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@H](CF)C1
InChIInChI=1S/C5H8FNO/c1-4-2-5(3-6)8-7-4/h5H,2-3H2,1H3/t5-/m0/s1
InChIKeyNWYKESVSIRYIII-YFKPBYRVSA-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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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole (CID 89225275) is (5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NO[C@H](CF)C1.
What is the InChIKey of (5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is NWYKESVSIRYIII-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H8FNO/c1-4-2-5(3-6)8-7-4/h5H,2-3H2,1H3/t5-/m0/s1.
What are the key properties of (5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
(5S)-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 (5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 89225275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).