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

C36H36F6N6O6 — CID 159953391

IUPAC1,1-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
SMILESCC(=O)c1c(-c2cccc(C(F)(F)F)c2)nc2occn12.CN(C)C=CC(=O)c1c(-c2cccc(C(F)(F)F)c2)nc2occn12.COC(OC)N(C)C
InChIInChI=1S/C17H14F3N3O2.C14H9F3N2O2.C5H13NO2/c1-22(2)7-6-13(24)15-14(21-16-23(15)8-9-25-16)11-4-3-5-12(10-11)17(18,19)20;1-8(20)12-11(18-13-19(12)5-6-21-13)9-3-2-4-10(7-9)14(15,16)17;1-6(2)5(7-3)8-4/h3-10H,1-2H3;2-7H,1H3;5H,1-4H3
InChIKeyOCKFCRUFGBZQKA-UHFFFAOYSA-N
MW762.71 g/mol
LogP7.81
Rot. Bonds9

About 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

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 (PubChem CID 159953391) has the molecular formula C36H36F6N6O6 and a molecular weight of 762.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1-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
PubChem CID159953391
Molecular FormulaC36H36F6N6O6
Molecular Weight762.71 g/mol
Exact Mass762.26
IUPAC Name1,1-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
SMILESCC(=O)c1c(-c2cccc(C(F)(F)F)c2)nc2occn12.CN(C)C=CC(=O)c1c(-c2cccc(C(F)(F)F)c2)nc2occn12.COC(OC)N(C)C
InChIInChI=1S/C17H14F3N3O2.C14H9F3N2O2.C5H13NO2/c1-22(2)7-6-13(24)15-14(21-16-23(15)8-9-25-16)11-4-3-5-12(10-11)17(18,19)20;1-8(20)12-11(18-13-19(12)5-6-21-13)9-3-2-4-10(7-9)14(15,16)17;1-6(2)5(7-3)8-4/h3-10H,1-2H3;2-7H,1H3;5H,1-4H3
InChIKeyOCKFCRUFGBZQKA-UHFFFAOYSA-N
XLogP7.81
TPSA119.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.71
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one
CID 143219736
(E)-4-(dimethylamino)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one
CID 162582437
3-(dimethylamino)-1-[3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]prop-2-en-1-one
CID 2745740
(E)-3-(dimethylamino)-1-[7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one
CID 59176932
(1E,4E)-1-(dimethylamino)-5-[3-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
CID 1479406
3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 175410196
methyl 3,6-dimethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylate
CID 71203264
(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
(E)-1-[2-(3-bromophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
CID 59513713
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
CID 117222908
N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
CID 134794732
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1c(-c2cccc(C(F)(F)F)c2)nc2occn12.CN(C)C=CC(=O)c1c(-c2cccc(C(F)(F)F)c2)nc2occn12.COC(OC)N(C)C.
What is the InChIKey of 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?
The InChIKey is OCKFCRUFGBZQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2.C14H9F3N2O2.C5H13NO2/c1-22(2)7-6-13(24)15-14(21-16-23(15)8-9-25-16)11-4-3-5-12(10-11)17(18,19)20;1-8(20)12-11(18-13-19(12)5-6-21-13)9-3-2-4-10(7-9)14(15,16)17;1-6(2)5(7-3)8-4/h3-10H,1-2H3;2-7H,1H3;5H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 762.71 g/mol, XLogP of 7.81, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159953391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).