3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one

C14H10F3N5O3 — CID 145423109

IUPAC3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one
SMILESCn1c(Cn2ccc(-c3noc(C(F)(F)F)n3)cc2=O)nccc1=O
InChIInChI=1S/C14H10F3N5O3/c1-21-9(18-4-2-10(21)23)7-22-5-3-8(6-11(22)24)12-19-13(25-20-12)14(15,16)17/h2-6H,7H2,1H3
InChIKeyJRWJHQFYKTVTRJ-UHFFFAOYSA-N
MW353.26 g/mol
LogP1.06
Rot. Bonds3

About 3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one

3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one (PubChem CID 145423109) has the molecular formula C14H10F3N5O3 and a molecular weight of 353.26 g/mol. Its IUPAC name is 3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one
PubChem CID145423109
Molecular FormulaC14H10F3N5O3
Molecular Weight353.26 g/mol
Exact Mass353.07
IUPAC Name3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one
SMILESCn1c(Cn2ccc(-c3noc(C(F)(F)F)n3)cc2=O)nccc1=O
InChIInChI=1S/C14H10F3N5O3/c1-21-9(18-4-2-10(21)23)7-22-5-3-8(6-11(22)24)12-19-13(25-20-12)14(15,16)17/h2-6H,7H2,1H3
InChIKeyJRWJHQFYKTVTRJ-UHFFFAOYSA-N
XLogP1.06
TPSA95.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one (CID 145423109) is 3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one is Cn1c(Cn2ccc(-c3noc(C(F)(F)F)n3)cc2=O)nccc1=O.
What is the InChIKey of 3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one?
The InChIKey is JRWJHQFYKTVTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O3/c1-21-9(18-4-2-10(21)23)7-22-5-3-8(6-11(22)24)12-19-13(25-20-12)14(15,16)17/h2-6H,7H2,1H3.
What are the key properties of 3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one?
3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one has a molecular weight of 353.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-oxo-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-pyridinyl]methyl]pyrimidin-4-one is sourced from PubChem (CID 145423109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).