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

C24H26N2O — CID 10451052

IUPAC5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole
SMILESCc1ccc(C2CC3CCC(C2c2cc(-c4ccccc4)no2)N3C)cc1
InChIInChI=1S/C24H26N2O/c1-16-8-10-17(11-9-16)20-14-19-12-13-22(26(19)2)24(20)23-15-21(25-27-23)18-6-4-3-5-7-18/h3-11,15,19-20,22,24H,12-14H2,1-2H3
InChIKeySSEYJTZXHQMBJU-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.38
Rot. Bonds3

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

5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole (PubChem CID 10451052) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole
PubChem CID10451052
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole
SMILESCc1ccc(C2CC3CCC(C2c2cc(-c4ccccc4)no2)N3C)cc1
InChIInChI=1S/C24H26N2O/c1-16-8-10-17(11-9-16)20-14-19-12-13-22(26(19)2)24(20)23-15-21(25-27-23)18-6-4-3-5-7-18/h3-11,15,19-20,22,24H,12-14H2,1-2H3
InChIKeySSEYJTZXHQMBJU-UHFFFAOYSA-N
XLogP5.38
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole (CID 10451052) is 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole is Cc1ccc(C2CC3CCC(C2c2cc(-c4ccccc4)no2)N3C)cc1.
What is the InChIKey of 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole?
The InChIKey is SSEYJTZXHQMBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-16-8-10-17(11-9-16)20-14-19-12-13-22(26(19)2)24(20)23-15-21(25-27-23)18-6-4-3-5-7-18/h3-11,15,19-20,22,24H,12-14H2,1-2H3.
What are the key properties of 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole?
5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole has a molecular weight of 358.49 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 10451052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).