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

C20H25ClN2O — CID 22896725

IUPAC5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(C2C(c3ccc(Cl)cc3)CC3CCC2N3C)on1
InChIInChI=1S/C20H25ClN2O/c1-12(2)17-11-19(24-22-17)20-16(13-4-6-14(21)7-5-13)10-15-8-9-18(20)23(15)3/h4-7,11-12,15-16,18,20H,8-10H2,1-3H3
InChIKeyVORLYPMDEILSSB-UHFFFAOYSA-N
MW344.89 g/mol
LogP5.19
Rot. Bonds3

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

5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole (PubChem CID 22896725) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole
PubChem CID22896725
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(C2C(c3ccc(Cl)cc3)CC3CCC2N3C)on1
InChIInChI=1S/C20H25ClN2O/c1-12(2)17-11-19(24-22-17)20-16(13-4-6-14(21)7-5-13)10-15-8-9-18(20)23(15)3/h4-7,11-12,15-16,18,20H,8-10H2,1-3H3
InChIKeyVORLYPMDEILSSB-UHFFFAOYSA-N
XLogP5.19
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.89
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole (CID 22896725) is 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole is CC(C)c1cc(C2C(c3ccc(Cl)cc3)CC3CCC2N3C)on1.
What is the InChIKey of 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is VORLYPMDEILSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-12(2)17-11-19(24-22-17)20-16(13-4-6-14(21)7-5-13)10-15-8-9-18(20)23(15)3/h4-7,11-12,15-16,18,20H,8-10H2,1-3H3.
What are the key properties of 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole?
5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 344.89 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 22896725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).