1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone

C19H28N2O4 — CID 138017046

IUPAC1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone
SMILESCc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1
InChIInChI=1S/C19H28N2O4/c1-13-6-16(20-24-13)9-23-10-17(22)21-11-18(2,3)25-19(12-21)8-14-4-5-15(19)7-14/h6,14-15H,4-5,7-12H2,1-3H3/t14-,15+,19+/m1/s1
InChIKeyUQLNFYBDHOJXGS-VCBZYWHSSA-N
MW348.44 g/mol
LogP2.70
Rot. Bonds4

About 1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone

1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone (PubChem CID 138017046) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone
PubChem CID138017046
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone
SMILESCc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1
InChIInChI=1S/C19H28N2O4/c1-13-6-16(20-24-13)9-23-10-17(22)21-11-18(2,3)25-19(12-21)8-14-4-5-15(19)7-14/h6,14-15H,4-5,7-12H2,1-3H3/t14-,15+,19+/m1/s1
InChIKeyUQLNFYBDHOJXGS-VCBZYWHSSA-N
XLogP2.70
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone?
The IUPAC name of 1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone (CID 138017046) is 1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone.
What is the SMILES notation for 1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone?
The canonical SMILES for 1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone is Cc1cc(COCC(=O)N2CC(C)(C)O[C@@]3(C[C@@H]4CC[C@H]3C4)C2)no1.
What is the InChIKey of 1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone?
The InChIKey is UQLNFYBDHOJXGS-VCBZYWHSSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13-6-16(20-24-13)9-23-10-17(22)21-11-18(2,3)25-19(12-21)8-14-4-5-15(19)7-14/h6,14-15H,4-5,7-12H2,1-3H3/t14-,15+,19+/m1/s1.
What are the key properties of 1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone?
1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone has a molecular weight of 348.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone is sourced from PubChem (CID 138017046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).