2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

C16H14F3N5O3 — CID 151864286

IUPAC2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
SMILESCCc1cc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)on1
InChIInChI=1S/C16H14F3N5O3/c1-2-11-5-12(27-23-11)8-24-14(25)4-3-13(22-24)10-6-20-15(21-7-10)26-9-16(17,18)19/h3-7H,2,8-9H2,1H3
InChIKeySLIQFVQEUZCTHU-UHFFFAOYSA-N
MW381.31 g/mol
LogP2.24
Rot. Bonds6

About 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (PubChem CID 151864286) has the molecular formula C16H14F3N5O3 and a molecular weight of 381.31 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
PubChem CID151864286
Molecular FormulaC16H14F3N5O3
Molecular Weight381.31 g/mol
Exact Mass381.10
IUPAC Name2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
SMILESCCc1cc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)on1
InChIInChI=1S/C16H14F3N5O3/c1-2-11-5-12(27-23-11)8-24-14(25)4-3-13(22-24)10-6-20-15(21-7-10)26-9-16(17,18)19/h3-7H,2,8-9H2,1H3
InChIKeySLIQFVQEUZCTHU-UHFFFAOYSA-N
XLogP2.24
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The IUPAC name of 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (CID 151864286) is 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.
What is the SMILES notation for 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The canonical SMILES for 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is CCc1cc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)on1.
What is the InChIKey of 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
The InChIKey is SLIQFVQEUZCTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O3/c1-2-11-5-12(27-23-11)8-24-14(25)4-3-13(22-24)10-6-20-15(21-7-10)26-9-16(17,18)19/h3-7H,2,8-9H2,1H3.
What are the key properties of 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?
2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one has a molecular weight of 381.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is sourced from PubChem (CID 151864286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).