2-fluoro-5-methyl-1,3,4-oxadiazole

C3H3FN2O — CID 23392980

IUPAC2-fluoro-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(F)o1
InChIInChI=1S/C3H3FN2O/c1-2-5-6-3(4)7-2/h1H3
InChIKeyNBDKFCRBXDTGIK-UHFFFAOYSA-N
MW102.07 g/mol
LogP0.52
Rot. Bonds

About 2-fluoro-5-methyl-1,3,4-oxadiazole

2-fluoro-5-methyl-1,3,4-oxadiazole (PubChem CID 23392980) has the molecular formula C3H3FN2O and a molecular weight of 102.07 g/mol. Its IUPAC name is 2-fluoro-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-fluoro-5-methyl-1,3,4-oxadiazole
PubChem CID23392980
Molecular FormulaC3H3FN2O
Molecular Weight102.07 g/mol
Exact Mass102.02
IUPAC Name2-fluoro-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(F)o1
InChIInChI=1S/C3H3FN2O/c1-2-5-6-3(4)7-2/h1H3
InChIKeyNBDKFCRBXDTGIK-UHFFFAOYSA-N
XLogP0.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.07
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-fluoro-5-methyl-1,3,4-oxadiazole (CID 23392980) is 2-fluoro-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-fluoro-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-fluoro-5-methyl-1,3,4-oxadiazole is Cc1nnc(F)o1.
What is the InChIKey of 2-fluoro-5-methyl-1,3,4-oxadiazole?
The InChIKey is NBDKFCRBXDTGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN2O/c1-2-5-6-3(4)7-2/h1H3.
What are the key properties of 2-fluoro-5-methyl-1,3,4-oxadiazole?
2-fluoro-5-methyl-1,3,4-oxadiazole has a molecular weight of 102.07 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 23392980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).