3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one

C11H11FN2O3 — CID 146103355

IUPAC3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one
SMILESCOCc1cc(Cn2cccc(F)c2=O)no1
InChIInChI=1S/C11H11FN2O3/c1-16-7-9-5-8(13-17-9)6-14-4-2-3-10(12)11(14)15/h2-5H,6-7H2,1H3
InChIKeyKTCMALQGVMDVDP-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.17
Rot. Bonds4

About 3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one

3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one (PubChem CID 146103355) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one
PubChem CID146103355
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one
SMILESCOCc1cc(Cn2cccc(F)c2=O)no1
InChIInChI=1S/C11H11FN2O3/c1-16-7-9-5-8(13-17-9)6-14-4-2-3-10(12)11(14)15/h2-5H,6-7H2,1H3
InChIKeyKTCMALQGVMDVDP-UHFFFAOYSA-N
XLogP1.17
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one?
The IUPAC name of 3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one (CID 146103355) is 3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one.
What is the SMILES notation for 3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one?
The canonical SMILES for 3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one is COCc1cc(Cn2cccc(F)c2=O)no1.
What is the InChIKey of 3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one?
The InChIKey is KTCMALQGVMDVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-16-7-9-5-8(13-17-9)6-14-4-2-3-10(12)11(14)15/h2-5H,6-7H2,1H3.
What are the key properties of 3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one?
3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one has a molecular weight of 238.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyridin-2-one is sourced from PubChem (CID 146103355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).