(2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine

C22H26N2O3 — CID 26280342

IUPAC(2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCOc1ccc(-c2nc(CN3C[C@@H](C)O[C@@H](C)C3)c(C)o2)c2ccccc12
InChIInChI=1S/C22H26N2O3/c1-14-11-24(12-15(2)26-14)13-20-16(3)27-22(23-20)19-9-10-21(25-4)18-8-6-5-7-17(18)19/h5-10,14-15H,11-13H2,1-4H3/t14-,15+
InChIKeyZZJWGNGGWCGZLW-GASCZTMLSA-N
MW366.46 g/mol
LogP4.42
Rot. Bonds4

About (2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine

(2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 26280342) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
PubChem CID26280342
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
SMILESCOc1ccc(-c2nc(CN3C[C@@H](C)O[C@@H](C)C3)c(C)o2)c2ccccc12
InChIInChI=1S/C22H26N2O3/c1-14-11-24(12-15(2)26-14)13-20-16(3)27-22(23-20)19-9-10-21(25-4)18-8-6-5-7-17(18)19/h5-10,14-15H,11-13H2,1-4H3/t14-,15+
InChIKeyZZJWGNGGWCGZLW-GASCZTMLSA-N
XLogP4.42
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine (CID 26280342) is (2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine is COc1ccc(-c2nc(CN3C[C@@H](C)O[C@@H](C)C3)c(C)o2)c2ccccc12.
What is the InChIKey of (2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is ZZJWGNGGWCGZLW-GASCZTMLSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14-11-24(12-15(2)26-14)13-20-16(3)27-22(23-20)19-9-10-21(25-4)18-8-6-5-7-17(18)19/h5-10,14-15H,11-13H2,1-4H3/t14-,15+.
What are the key properties of (2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 366.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 26280342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).