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

C21H28N2O — CID 22896767

IUPAC5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCc1ccc(C2CC3CCC(C2c2cc(C(C)C)no2)N3C)cc1
InChIInChI=1S/C21H28N2O/c1-13(2)18-12-20(24-22-18)21-17(15-7-5-14(3)6-8-15)11-16-9-10-19(21)23(16)4/h5-8,12-13,16-17,19,21H,9-11H2,1-4H3
InChIKeyNNUGMIGHMIYPID-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.84
Rot. Bonds3

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

5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole (PubChem CID 22896767) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole
PubChem CID22896767
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCc1ccc(C2CC3CCC(C2c2cc(C(C)C)no2)N3C)cc1
InChIInChI=1S/C21H28N2O/c1-13(2)18-12-20(24-22-18)21-17(15-7-5-14(3)6-8-15)11-16-9-10-19(21)23(16)4/h5-8,12-13,16-17,19,21H,9-11H2,1-4H3
InChIKeyNNUGMIGHMIYPID-UHFFFAOYSA-N
XLogP4.84
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.84
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-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole (CID 22896767) is 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole is Cc1ccc(C2CC3CCC(C2c2cc(C(C)C)no2)N3C)cc1.
What is the InChIKey of 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is NNUGMIGHMIYPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-13(2)18-12-20(24-22-18)21-17(15-7-5-14(3)6-8-15)11-16-9-10-19(21)23(16)4/h5-8,12-13,16-17,19,21H,9-11H2,1-4H3.
What are the key properties of 5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole?
5-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 324.47 g/mol, XLogP of 4.84, 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-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 22896767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).