(E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one

C16H11F3N2O2 — CID 143219736

IUPAC(E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one
SMILESC/C=C/C(=O)c1c(-c2cccc(C(F)(F)F)c2)nc2occn12
InChIInChI=1S/C16H11F3N2O2/c1-2-4-12(22)14-13(20-15-21(14)7-8-23-15)10-5-3-6-11(9-10)16(17,18)19/h2-9H,1H3/b4-2+
InChIKeyYNZXVJNOVPJCNW-DUXPYHPUSA-N
MW320.27 g/mol
LogP4.37
Rot. Bonds3

About (E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one

(E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one (PubChem CID 143219736) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is (E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one
PubChem CID143219736
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name(E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one
SMILESC/C=C/C(=O)c1c(-c2cccc(C(F)(F)F)c2)nc2occn12
InChIInChI=1S/C16H11F3N2O2/c1-2-4-12(22)14-13(20-15-21(14)7-8-23-15)10-5-3-6-11(9-10)16(17,18)19/h2-9H,1H3/b4-2+
InChIKeyYNZXVJNOVPJCNW-DUXPYHPUSA-N
XLogP4.37
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(dimethylamino)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one
CID 162582437
1,1-dimethoxy-N,N-dimethylmethanamine;3-(dimethylamino)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]prop-2-en-1-one;1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]ethanone
CID 159953391
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
CID 117222908
8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 63616784
N-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 6471602
1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 61264904
methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134635513
(3S)-N-[6-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]-1,2-dihydropyrimidin-2-yl]-1-azabicyclo[2.2.2]octan-3-amine
CID 70822961
N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 134791991
N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
CID 134794732
2-methyl-2-[6-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]propanoic acid
CID 58004358
ethane;5-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 143932945

Frequently Asked Questions

What is the IUPAC name of (E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one?
The IUPAC name of (E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one (CID 143219736) is (E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one.
What is the SMILES notation for (E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one?
The canonical SMILES for (E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one is C/C=C/C(=O)c1c(-c2cccc(C(F)(F)F)c2)nc2occn12.
What is the InChIKey of (E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one?
The InChIKey is YNZXVJNOVPJCNW-DUXPYHPUSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-2-4-12(22)14-13(20-15-21(14)7-8-23-15)10-5-3-6-11(9-10)16(17,18)19/h2-9H,1H3/b4-2+.
What are the key properties of (E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one?
(E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one has a molecular weight of 320.27 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one is sourced from PubChem (CID 143219736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).