methyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate

C9H8FN3O3 — CID 170323343

IUPACmethyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate
SMILESCOC(=O)c1c(F)c(-c2ncco2)nn1C
InChIInChI=1S/C9H8FN3O3/c1-13-7(9(14)15-2)5(10)6(12-13)8-11-3-4-16-8/h3-4H,1-2H3
InChIKeyJHZMAFOIXBOSOK-UHFFFAOYSA-N
MW225.18 g/mol
LogP1.00
Rot. Bonds2

About methyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate

methyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate (PubChem CID 170323343) has the molecular formula C9H8FN3O3 and a molecular weight of 225.18 g/mol. Its IUPAC name is methyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate
PubChem CID170323343
Molecular FormulaC9H8FN3O3
Molecular Weight225.18 g/mol
Exact Mass225.05
IUPAC Namemethyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate
SMILESCOC(=O)c1c(F)c(-c2ncco2)nn1C
InChIInChI=1S/C9H8FN3O3/c1-13-7(9(14)15-2)5(10)6(12-13)8-11-3-4-16-8/h3-4H,1-2H3
InChIKeyJHZMAFOIXBOSOK-UHFFFAOYSA-N
XLogP1.00
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate?
The IUPAC name of methyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate (CID 170323343) is methyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate is COC(=O)c1c(F)c(-c2ncco2)nn1C.
What is the InChIKey of methyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate?
The InChIKey is JHZMAFOIXBOSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O3/c1-13-7(9(14)15-2)5(10)6(12-13)8-11-3-4-16-8/h3-4H,1-2H3.
What are the key properties of methyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate?
methyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate has a molecular weight of 225.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-1-methyl-3-(1,3-oxazol-2-yl)pyrazole-5-carboxylate is sourced from PubChem (CID 170323343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).