5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole

C4H6FNO — CID 90455407

IUPAC5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(F)C1
InChIInChI=1S/C4H6FNO/c1-3-2-4(5)7-6-3/h4H,2H2,1H3
InChIKeyWXTXNIICQXDIMM-UHFFFAOYSA-N
MW103.10 g/mol
LogP1.08
Rot. Bonds

About 5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole

5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 90455407) has the molecular formula C4H6FNO and a molecular weight of 103.10 g/mol. Its IUPAC name is 5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID90455407
Molecular FormulaC4H6FNO
Molecular Weight103.10 g/mol
Exact Mass103.04
IUPAC Name5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(F)C1
InChIInChI=1S/C4H6FNO/c1-3-2-4(5)7-6-3/h4H,2H2,1H3
InChIKeyWXTXNIICQXDIMM-UHFFFAOYSA-N
XLogP1.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole (CID 90455407) is 5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NOC(F)C1.
What is the InChIKey of 5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is WXTXNIICQXDIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO/c1-3-2-4(5)7-6-3/h4H,2H2,1H3.
What are the key properties of 5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole?
5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 103.10 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 90455407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).