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

C20H13F3N4O2 — CID 91894259

IUPAC1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-6-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESFc1cccc(C2Cn3cnc(-c4nc(-c5ccc(F)c(F)c5)no4)c3CO2)c1
InChIInChI=1S/C20H13F3N4O2/c21-13-3-1-2-11(6-13)17-8-27-10-24-18(16(27)9-28-17)20-25-19(26-29-20)12-4-5-14(22)15(23)7-12/h1-7,10,17H,8-9H2
InChIKeyHPXQNVZYGXPNQT-UHFFFAOYSA-N
MW398.34 g/mol
LogP4.29
Rot. Bonds3

About 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

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 (PubChem CID 91894259) has the molecular formula C20H13F3N4O2 and a molecular weight of 398.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-6-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
PubChem CID91894259
Molecular FormulaC20H13F3N4O2
Molecular Weight398.34 g/mol
Exact Mass398.10
IUPAC Name1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-6-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESFc1cccc(C2Cn3cnc(-c4nc(-c5ccc(F)c(F)c5)no4)c3CO2)c1
InChIInChI=1S/C20H13F3N4O2/c21-13-3-1-2-11(6-13)17-8-27-10-24-18(16(27)9-28-17)20-25-19(26-29-20)12-4-5-14(22)15(23)7-12/h1-7,10,17H,8-9H2
InChIKeyHPXQNVZYGXPNQT-UHFFFAOYSA-N
XLogP4.29
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

(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
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
(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
(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
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
(6R)-1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125128134
(6S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125127329
(6R)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125127891
(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
6-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 91894235
(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
(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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1cccc(C2Cn3cnc(-c4nc(-c5ccc(F)c(F)c5)no4)c3CO2)c1.
What is the InChIKey of 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?
The InChIKey is HPXQNVZYGXPNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2/c21-13-3-1-2-11(6-13)17-8-27-10-24-18(16(27)9-28-17)20-25-19(26-29-20)12-4-5-14(22)15(23)7-12/h1-7,10,17H,8-9H2.
What are the key properties of 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?
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 has a molecular weight of 398.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91894259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).