1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one

C12H11F3N2O3 — CID 146144041

IUPAC1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCOCc1cc(Cn2ccc(C(F)(F)F)cc2=O)no1
InChIInChI=1S/C12H11F3N2O3/c1-19-7-10-5-9(16-20-10)6-17-3-2-8(4-11(17)18)12(13,14)15/h2-5H,6-7H2,1H3
InChIKeyJNWROIDCWFACOG-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.05
Rot. Bonds4

About 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one

1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one (PubChem CID 146144041) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one
PubChem CID146144041
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC Name1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one
SMILESCOCc1cc(Cn2ccc(C(F)(F)F)cc2=O)no1
InChIInChI=1S/C12H11F3N2O3/c1-19-7-10-5-9(16-20-10)6-17-3-2-8(4-11(17)18)12(13,14)15/h2-5H,6-7H2,1H3
InChIKeyJNWROIDCWFACOG-UHFFFAOYSA-N
XLogP2.05
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one (CID 146144041) is 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one is COCc1cc(Cn2ccc(C(F)(F)F)cc2=O)no1.
What is the InChIKey of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is JNWROIDCWFACOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c1-19-7-10-5-9(16-20-10)6-17-3-2-8(4-11(17)18)12(13,14)15/h2-5H,6-7H2,1H3.
What are the key properties of 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one?
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 288.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 146144041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).