5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole

C25H28N2O2 — CID 44588229

IUPAC5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole
SMILESCOc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2c2cc(-c4ccc(C)cc4)no2)N3C)cc1
InChIInChI=1S/C25H28N2O2/c1-16-4-6-18(7-5-16)22-15-24(29-26-22)25-21(14-19-10-13-23(25)27(19)2)17-8-11-20(28-3)12-9-17/h4-9,11-12,15,19,21,23,25H,10,13-14H2,1-3H3/t19-,21-,23-,25+/m1/s1
InChIKeyQQRZKRGPBNRGIF-YTAKYCMFSA-N
MW388.51 g/mol
LogP5.39
Rot. Bonds4

About 5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole

5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole (PubChem CID 44588229) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole
PubChem CID44588229
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole
SMILESCOc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2c2cc(-c4ccc(C)cc4)no2)N3C)cc1
InChIInChI=1S/C25H28N2O2/c1-16-4-6-18(7-5-16)22-15-24(29-26-22)25-21(14-19-10-13-23(25)27(19)2)17-8-11-20(28-3)12-9-17/h4-9,11-12,15,19,21,23,25H,10,13-14H2,1-3H3/t19-,21-,23-,25+/m1/s1
InChIKeyQQRZKRGPBNRGIF-YTAKYCMFSA-N
XLogP5.39
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole?
The IUPAC name of 5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole (CID 44588229) is 5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole?
The canonical SMILES for 5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole is COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2c2cc(-c4ccc(C)cc4)no2)N3C)cc1.
What is the InChIKey of 5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole?
The InChIKey is QQRZKRGPBNRGIF-YTAKYCMFSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-16-4-6-18(7-5-16)22-15-24(29-26-22)25-21(14-19-10-13-23(25)27(19)2)17-8-11-20(28-3)12-9-17/h4-9,11-12,15,19,21,23,25H,10,13-14H2,1-3H3/t19-,21-,23-,25+/m1/s1.
What are the key properties of 5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole?
5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole has a molecular weight of 388.51 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2S,3S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole is sourced from PubChem (CID 44588229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).