3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one

C15H12F3N3O2 — CID 69193346

IUPAC3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one
SMILESCCn1cnc2c(=O)nc(Cc3cccc(C(F)(F)F)c3)oc21
InChIInChI=1S/C15H12F3N3O2/c1-2-21-8-19-12-13(22)20-11(23-14(12)21)7-9-4-3-5-10(6-9)15(16,17)18/h3-6,8H,2,7H2,1H3
InChIKeyGXKQCIJQGHBHOW-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.01
Rot. Bonds3

About 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one

3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one (PubChem CID 69193346) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one.

Molecular Properties

Compound Name3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one
PubChem CID69193346
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC Name3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one
SMILESCCn1cnc2c(=O)nc(Cc3cccc(C(F)(F)F)c3)oc21
InChIInChI=1S/C15H12F3N3O2/c1-2-21-8-19-12-13(22)20-11(23-14(12)21)7-9-4-3-5-10(6-9)15(16,17)18/h3-6,8H,2,7H2,1H3
InChIKeyGXKQCIJQGHBHOW-UHFFFAOYSA-N
XLogP3.01
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole
CID 163606669
1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852897
1-methyl-5-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-one
CID 53156519
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115078816
3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
CID 4809358
2-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 1124881
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078850
5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyrazol-3-one
CID 141273226
2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58040421
3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 123448222

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one?
The IUPAC name of 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one (CID 69193346) is 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one.
What is the SMILES notation for 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one?
The canonical SMILES for 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one is CCn1cnc2c(=O)nc(Cc3cccc(C(F)(F)F)c3)oc21.
What is the InChIKey of 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one?
The InChIKey is GXKQCIJQGHBHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c1-2-21-8-19-12-13(22)20-11(23-14(12)21)7-9-4-3-5-10(6-9)15(16,17)18/h3-6,8H,2,7H2,1H3.
What are the key properties of 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one?
3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one has a molecular weight of 323.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-e][1,3]oxazin-7-one is sourced from PubChem (CID 69193346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).