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

C32H27NO3 — CID 102041985

IUPAC(1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
SMILESCOc1ccc([C@@H]2c3c(-c4ccccc4)oc(C)c3[C@H](c3ccccc3)ON2c2ccccc2)cc1
InChIInChI=1S/C32H27NO3/c1-22-28-29(31(35-22)24-12-6-3-7-13-24)30(23-18-20-27(34-2)21-19-23)33(26-16-10-5-11-17-26)36-32(28)25-14-8-4-9-15-25/h3-21,30,32H,1-2H3/t30-,32+/m1/s1
InChIKeyUEVPOCNCYQZFTP-BHYZAODMSA-N
MW473.57 g/mol
LogP7.89
Rot. Bonds5

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

(1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine (PubChem CID 102041985) has the molecular formula C32H27NO3 and a molecular weight of 473.57 g/mol. Its IUPAC name is (1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine.

Molecular Properties

Compound Name(1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
PubChem CID102041985
Molecular FormulaC32H27NO3
Molecular Weight473.57 g/mol
Exact Mass473.20
IUPAC Name(1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
SMILESCOc1ccc([C@@H]2c3c(-c4ccccc4)oc(C)c3[C@H](c3ccccc3)ON2c2ccccc2)cc1
InChIInChI=1S/C32H27NO3/c1-22-28-29(31(35-22)24-12-6-3-7-13-24)30(23-18-20-27(34-2)21-19-23)33(26-16-10-5-11-17-26)36-32(28)25-14-8-4-9-15-25/h3-21,30,32H,1-2H3/t30-,32+/m1/s1
InChIKeyUEVPOCNCYQZFTP-BHYZAODMSA-N
XLogP7.89
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,4R)-4-(4-methoxyphenyl)-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-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
CID 102041986
(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
(5S)-2-(4-methoxyphenyl)-4,5,6,8-tetraphenyl-3,5-dihydro-1H-furo[3,4-e][1,3]diazepine
CID 139094838
methyl (3R,6R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-3,6-dihydrooxazine-4-carboxylate
CID 102309534
(1S,4R)-1-(furan-2-yl)-6-methyl-2,4,8-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine
CID 132584819
5-(4-methoxyphenyl)-1-methyl-3-phenyl-5,6-dihydrocyclopenta[c]furan-4-one
CID 101467022
(1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine
CID 132584823
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
1-[(3R,5R)-3-(4-methoxyphenyl)-2-phenyl-1,2-oxazolidin-5-yl]ethanone
CID 10732763
5-(4-methoxyphenyl)-2,3-diphenylfuran
CID 2733040
(3S,3aR,6aS)-3,5-bis(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 1043935

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine?
The IUPAC name of (1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine (CID 102041985) is (1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine.
What is the SMILES notation for (1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine?
The canonical SMILES for (1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine is COc1ccc([C@@H]2c3c(-c4ccccc4)oc(C)c3[C@H](c3ccccc3)ON2c2ccccc2)cc1.
What is the InChIKey of (1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine?
The InChIKey is UEVPOCNCYQZFTP-BHYZAODMSA-N. The full InChI is InChI=1S/C32H27NO3/c1-22-28-29(31(35-22)24-12-6-3-7-13-24)30(23-18-20-27(34-2)21-19-23)33(26-16-10-5-11-17-26)36-32(28)25-14-8-4-9-15-25/h3-21,30,32H,1-2H3/t30-,32+/m1/s1.
What are the key properties of (1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine?
(1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine has a molecular weight of 473.57 g/mol, XLogP of 7.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-(4-methoxyphenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine is sourced from PubChem (CID 102041985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).