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

C21H17BrN4O3 — CID 125127978

IUPAC(6R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESCOc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(Br)cc5)no4)c3CO2)cc1
InChIInChI=1S/C21H17BrN4O3/c1-27-16-8-4-13(5-9-16)18-10-26-12-23-19(17(26)11-28-18)21-24-20(25-29-21)14-2-6-15(22)7-3-14/h2-9,12,18H,10-11H2,1H3/t18-/m0/s1
InChIKeyQYGBMYZSBMSFFM-SFHVURJKSA-N
MW453.30 g/mol
LogP4.64
Rot. Bonds4

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

(6R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (PubChem CID 125127978) has the molecular formula C21H17BrN4O3 and a molecular weight of 453.30 g/mol. Its IUPAC name is (6R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name(6R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
PubChem CID125127978
Molecular FormulaC21H17BrN4O3
Molecular Weight453.30 g/mol
Exact Mass452.05
IUPAC Name(6R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
SMILESCOc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(Br)cc5)no4)c3CO2)cc1
InChIInChI=1S/C21H17BrN4O3/c1-27-16-8-4-13(5-9-16)18-10-26-12-23-19(17(26)11-28-18)21-24-20(25-29-21)14-2-6-15(22)7-3-14/h2-9,12,18H,10-11H2,1H3/t18-/m0/s1
InChIKeyQYGBMYZSBMSFFM-SFHVURJKSA-N
XLogP4.64
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.30
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
(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
(6S)-6-(4-methoxyphenyl)-1-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125127722
(6S)-6-(4-methoxyphenyl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 125125918
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91889369
(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
(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)-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
6-(4-methoxyphenyl)-1-(3-propyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 91894242
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 91894231
(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)-6-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 125127817

Frequently Asked Questions

What is the IUPAC name of (6R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The IUPAC name of (6R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine (CID 125127978) is (6R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine.
What is the SMILES notation for (6R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The canonical SMILES for (6R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(Br)cc5)no4)c3CO2)cc1.
What is the InChIKey of (6R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
The InChIKey is QYGBMYZSBMSFFM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H17BrN4O3/c1-27-16-8-4-13(5-9-16)18-10-26-12-23-19(17(26)11-28-18)21-24-20(25-29-21)14-2-6-15(22)7-3-14/h2-9,12,18H,10-11H2,1H3/t18-/m0/s1.
What are the key properties of (6R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine?
(6R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine has a molecular weight of 453.30 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine is sourced from PubChem (CID 125127978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).