6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

C21H14F4N4O2 — CID 91894198

IUPAC6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESFc1ccc(C2Cn3cnc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)c3CO2)cc1
InChIInChI=1S/C21H14F4N4O2/c22-15-6-4-12(5-7-15)17-9-29-11-26-18(16(29)10-30-17)20-27-19(28-31-20)13-2-1-3-14(8-13)21(23,24)25/h1-8,11,17H,9-10H2
InChIKeyOGRNPADGHDRIKR-UHFFFAOYSA-N
MW430.36 g/mol
LogP5.03
Rot. Bonds3

About 6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine

6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (PubChem CID 91894198) has the molecular formula C21H14F4N4O2 and a molecular weight of 430.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
PubChem CID91894198
Molecular FormulaC21H14F4N4O2
Molecular Weight430.36 g/mol
Exact Mass430.11
IUPAC Name6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESFc1ccc(C2Cn3cnc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)c3CO2)cc1
InChIInChI=1S/C21H14F4N4O2/c22-15-6-4-12(5-7-15)17-9-29-11-26-18(16(29)10-30-17)20-27-19(28-31-20)13-2-1-3-14(8-13)21(23,24)25/h1-8,11,17H,9-10H2
InChIKeyOGRNPADGHDRIKR-UHFFFAOYSA-N
XLogP5.03
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.36
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine with MolForge

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Related Compounds

(6R)-6-(4-methoxyphenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125128510
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 91894201
(6R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125127693
(6R)-6-(2-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125128332
(6S)-6-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125126090
6-(4-fluorophenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91889339
(6S)-6-(4-fluorophenyl)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125126887
(6R)-1-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125127832
1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-6-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 91894259
(6S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125126016
(6R)-6-(4-fluorophenyl)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125126094
(6R)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125128690

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The IUPAC name of 6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (CID 91894198) is 6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.
What is the SMILES notation for 6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The canonical SMILES for 6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is Fc1ccc(C2Cn3cnc(-c4nc(-c5cccc(C(F)(F)F)c5)no4)c3CO2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The InChIKey is OGRNPADGHDRIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O2/c22-15-6-4-12(5-7-15)17-9-29-11-26-18(16(29)10-30-17)20-27-19(28-31-20)13-2-1-3-14(8-13)21(23,24)25/h1-8,11,17H,9-10H2.
What are the key properties of 6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine has a molecular weight of 430.36 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is sourced from PubChem (CID 91894198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).