4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole

C23H26N2O2 — CID 28685330

IUPAC4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3C[C@@H]4CCC[C@H]3C4)c(C)o2)c2ccccc12
InChIInChI=1S/C23H26N2O2/c1-15-21(14-25-13-16-6-5-7-17(25)12-16)24-23(27-15)20-10-11-22(26-2)19-9-4-3-8-18(19)20/h3-4,8-11,16-17H,5-7,12-14H2,1-2H3/t16-,17+/m1/s1
InChIKeyQOOWIAJNWXGWRQ-SJORKVTESA-N
MW362.47 g/mol
LogP5.19
Rot. Bonds4

About 4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole

4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole (PubChem CID 28685330) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole
PubChem CID28685330
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3C[C@@H]4CCC[C@H]3C4)c(C)o2)c2ccccc12
InChIInChI=1S/C23H26N2O2/c1-15-21(14-25-13-16-6-5-7-17(25)12-16)24-23(27-15)20-10-11-22(26-2)19-9-4-3-8-18(19)20/h3-4,8-11,16-17H,5-7,12-14H2,1-2H3/t16-,17+/m1/s1
InChIKeyQOOWIAJNWXGWRQ-SJORKVTESA-N
XLogP5.19
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45170995
(2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
CID 26280342
2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56739301
2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 26391215
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-oxazole
CID 29257296
4-[[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]methyl]-2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazole
CID 25369217
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95217240
3-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl-methylamino]propan-1-ol
CID 56745585
1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 25281519
2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-4-[[2-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 45188798
[(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol
CID 95194346
(3S)-4-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-ethyl-3-methylpiperazin-2-one
CID 25278696

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole?
The IUPAC name of 4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole (CID 28685330) is 4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole?
The canonical SMILES for 4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole is COc1ccc(-c2nc(CN3C[C@@H]4CCC[C@H]3C4)c(C)o2)c2ccccc12.
What is the InChIKey of 4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole?
The InChIKey is QOOWIAJNWXGWRQ-SJORKVTESA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15-21(14-25-13-16-6-5-7-17(25)12-16)24-23(27-15)20-10-11-22(26-2)19-9-4-3-8-18(19)20/h3-4,8-11,16-17H,5-7,12-14H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of 4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole?
4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole has a molecular weight of 362.47 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,5S)-6-azabicyclo[3.2.1]octan-6-yl]methyl]-2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 28685330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).