fluoro 2-methyl-1,3-oxazole-5-carboxylate

C5H4FNO3 — CID 169165960

IUPACfluoro 2-methyl-1,3-oxazole-5-carboxylate
SMILESCc1ncc(C(=O)OF)o1
InChIInChI=1S/C5H4FNO3/c1-3-7-2-4(9-3)5(8)10-6/h2H,1H3
InChIKeyFJFIDEXXPWFOAP-UHFFFAOYSA-N
MW145.09 g/mol
LogP1.02
Rot. Bonds1

About fluoro 2-methyl-1,3-oxazole-5-carboxylate

fluoro 2-methyl-1,3-oxazole-5-carboxylate (PubChem CID 169165960) has the molecular formula C5H4FNO3 and a molecular weight of 145.09 g/mol. Its IUPAC name is fluoro 2-methyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namefluoro 2-methyl-1,3-oxazole-5-carboxylate
PubChem CID169165960
Molecular FormulaC5H4FNO3
Molecular Weight145.09 g/mol
Exact Mass145.02
IUPAC Namefluoro 2-methyl-1,3-oxazole-5-carboxylate
SMILESCc1ncc(C(=O)OF)o1
InChIInChI=1S/C5H4FNO3/c1-3-7-2-4(9-3)5(8)10-6/h2H,1H3
InChIKeyFJFIDEXXPWFOAP-UHFFFAOYSA-N
XLogP1.02
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.09
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-methyl-1,3-oxazole-5-carboxylate?
The IUPAC name of fluoro 2-methyl-1,3-oxazole-5-carboxylate (CID 169165960) is fluoro 2-methyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for fluoro 2-methyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for fluoro 2-methyl-1,3-oxazole-5-carboxylate is Cc1ncc(C(=O)OF)o1.
What is the InChIKey of fluoro 2-methyl-1,3-oxazole-5-carboxylate?
The InChIKey is FJFIDEXXPWFOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO3/c1-3-7-2-4(9-3)5(8)10-6/h2H,1H3.
What are the key properties of fluoro 2-methyl-1,3-oxazole-5-carboxylate?
fluoro 2-methyl-1,3-oxazole-5-carboxylate has a molecular weight of 145.09 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-methyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 169165960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).