(6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

C19H13BrFN5O2 — CID 99743976

IUPAC(6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESFc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccccc5Br)no4)c3CO2)cc1
InChIInChI=1S/C19H13BrFN5O2/c20-14-4-2-1-3-13(14)18-22-19(28-24-18)17-15-10-27-16(9-26(15)25-23-17)11-5-7-12(21)8-6-11/h1-8,16H,9-10H2/t16-/m0/s1
InChIKeyBBMAYUIZDKSAPB-INIZCTEOSA-N
MW442.25 g/mol
LogP4.17
Rot. Bonds3

About (6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

(6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 99743976) has the molecular formula C19H13BrFN5O2 and a molecular weight of 442.25 g/mol. Its IUPAC name is (6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name(6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID99743976
Molecular FormulaC19H13BrFN5O2
Molecular Weight442.25 g/mol
Exact Mass441.02
IUPAC Name(6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESFc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccccc5Br)no4)c3CO2)cc1
InChIInChI=1S/C19H13BrFN5O2/c20-14-4-2-1-3-13(14)18-22-19(28-24-18)17-15-10-27-16(9-26(15)25-23-17)11-5-7-12(21)8-6-11/h1-8,16H,9-10H2/t16-/m0/s1
InChIKeyBBMAYUIZDKSAPB-INIZCTEOSA-N
XLogP4.17
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.25
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine 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

(6S)-6-(4-fluorophenyl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99743992
(6S)-3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99744749
6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91889327
(6R)-6-(4-fluorophenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99744009
(6R)-6-(4-chlorophenyl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99743937
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)-6-(4-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99744004
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91889357
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
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91889347
(6S)-6-(4-ethoxyphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99754628
6-(4-chlorophenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91917154

Frequently Asked Questions

What is the IUPAC name of (6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The IUPAC name of (6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 99743976) is (6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for (6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for (6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is Fc1ccc([C@@H]2Cn3nnc(-c4nc(-c5ccccc5Br)no4)c3CO2)cc1.
What is the InChIKey of (6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is BBMAYUIZDKSAPB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H13BrFN5O2/c20-14-4-2-1-3-13(14)18-22-19(28-24-18)17-15-10-27-16(9-26(15)25-23-17)11-5-7-12(21)8-6-11/h1-8,16H,9-10H2/t16-/m0/s1.
What are the key properties of (6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
(6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 442.25 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-6-(4-fluorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 99743976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).