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

C20H14ClFN4O2 — CID 91894201

IUPAC1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESFc1ccc(C2Cn3cnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)cc1
InChIInChI=1S/C20H14ClFN4O2/c21-14-3-1-2-13(8-14)19-24-20(28-25-19)18-16-10-27-17(9-26(16)11-23-18)12-4-6-15(22)7-5-12/h1-8,11,17H,9-10H2
InChIKeyOUMXJJUOOVVTTJ-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.66
Rot. Bonds3

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

1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (PubChem CID 91894201) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
PubChem CID91894201
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC Name1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESFc1ccc(C2Cn3cnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)cc1
InChIInChI=1S/C20H14ClFN4O2/c21-14-3-1-2-13(8-14)19-24-20(28-25-19)18-16-10-27-17(9-26(16)11-23-18)12-4-6-15(22)7-5-12/h1-8,11,17H,9-10H2
InChIKeyOUMXJJUOOVVTTJ-UHFFFAOYSA-N
XLogP4.66
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
(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
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
(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
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91889343
(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
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
(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
(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
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 91894185
(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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The IUPAC name of 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) is 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.
What is the SMILES notation for 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The canonical SMILES for 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is Fc1ccc(C2Cn3cnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)cc1.
What is the InChIKey of 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The InChIKey is OUMXJJUOOVVTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c21-14-3-1-2-13(8-14)19-24-20(28-25-19)18-16-10-27-17(9-26(16)11-23-18)12-4-6-15(22)7-5-12/h1-8,11,17H,9-10H2.
What are the key properties of 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine has a molecular weight of 396.81 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is sourced from PubChem (CID 91894201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).