(1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine

C31H24BrNO2 — CID 102041986

IUPAC(1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
SMILESCc1oc(-c2ccccc2)c2c1[C@H](c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(Br)cc1
InChIInChI=1S/C31H24BrNO2/c1-21-27-28(30(34-21)23-11-5-2-6-12-23)29(22-17-19-25(32)20-18-22)33(26-15-9-4-10-16-26)35-31(27)24-13-7-3-8-14-24/h2-20,29,31H,1H3/t29-,31+/m1/s1
InChIKeyZZOWNJSQEBJNOT-VEEOACQBSA-N
MW522.44 g/mol
LogP8.65
Rot. Bonds4

About (1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine

(1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine (PubChem CID 102041986) has the molecular formula C31H24BrNO2 and a molecular weight of 522.44 g/mol. Its IUPAC name is (1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine.

Molecular Properties

Compound Name(1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
PubChem CID102041986
Molecular FormulaC31H24BrNO2
Molecular Weight522.44 g/mol
Exact Mass521.10
IUPAC Name(1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
SMILESCc1oc(-c2ccccc2)c2c1[C@H](c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(Br)cc1
InChIInChI=1S/C31H24BrNO2/c1-21-27-28(30(34-21)23-11-5-2-6-12-23)29(22-17-19-25(32)20-18-22)33(26-15-9-4-10-16-26)35-31(27)24-13-7-3-8-14-24/h2-20,29,31H,1H3/t29-,31+/m1/s1
InChIKeyZZOWNJSQEBJNOT-VEEOACQBSA-N
XLogP8.65
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.44
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]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

(1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
CID 102041985
(1S,4R)-1,3,4,5,7-pentakis-phenyl-1,4-dihydrofuro[3,4-d]oxazine
CID 102041983
(1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
CID 102041984
(2S,5R)-8-(4-methoxyphenyl)-2,4,5,6-tetraphenyl-5H-furo[3,4-d][1,6,2]dioxazepine
CID 102416207
(1S,4R)-1-(furan-2-yl)-6-methyl-2,4,8-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine
CID 132584819
(1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine
CID 132584823
(1R,4R)-2-benzyl-6-methyl-1,4,8-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine
CID 102522777
5-(4-bromophenyl)-3-methyl-2-phenylfuran
CID 132549906
5-(4-bromophenyl)-2-phenyl-1,2-oxazolidine
CID 25023408
1-(4-bromophenyl)-3-phenyl-2-benzofuran
CID 59538643
(3S,3aS,6aS)-3-(4-bromophenyl)-5-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 40871258
2-(4-bromophenyl)-6,7-dimethyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856316

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine?
The IUPAC name of (1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine (CID 102041986) is (1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine.
What is the SMILES notation for (1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine?
The canonical SMILES for (1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine is Cc1oc(-c2ccccc2)c2c1[C@H](c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(Br)cc1.
What is the InChIKey of (1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine?
The InChIKey is ZZOWNJSQEBJNOT-VEEOACQBSA-N. The full InChI is InChI=1S/C31H24BrNO2/c1-21-27-28(30(34-21)23-11-5-2-6-12-23)29(22-17-19-25(32)20-18-22)33(26-15-9-4-10-16-26)35-31(27)24-13-7-3-8-14-24/h2-20,29,31H,1H3/t29-,31+/m1/s1.
What are the key properties of (1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine?
(1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine has a molecular weight of 522.44 g/mol, XLogP of 8.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine is sourced from PubChem (CID 102041986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).