3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one

C18H30N2O4 — CID 58297113

IUPAC3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
SMILESCNC(C)(C)C(=O)Cc1cc(C(C)(C)COC2CCCCO2)no1
InChIInChI=1S/C18H30N2O4/c1-17(2,12-23-16-8-6-7-9-22-16)14-10-13(24-20-14)11-15(21)18(3,4)19-5/h10,16,19H,6-9,11-12H2,1-5H3
InChIKeyGXNVSIGDJYSZLS-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.61
Rot. Bonds8

About 3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one

3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one (PubChem CID 58297113) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one.

Molecular Properties

Compound Name3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
PubChem CID58297113
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one
SMILESCNC(C)(C)C(=O)Cc1cc(C(C)(C)COC2CCCCO2)no1
InChIInChI=1S/C18H30N2O4/c1-17(2,12-23-16-8-6-7-9-22-16)14-10-13(24-20-14)11-15(21)18(3,4)19-5/h10,16,19H,6-9,11-12H2,1-5H3
InChIKeyGXNVSIGDJYSZLS-UHFFFAOYSA-N
XLogP2.61
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one?
The IUPAC name of 3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one (CID 58297113) is 3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one.
What is the SMILES notation for 3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one?
The canonical SMILES for 3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one is CNC(C)(C)C(=O)Cc1cc(C(C)(C)COC2CCCCO2)no1.
What is the InChIKey of 3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one?
The InChIKey is GXNVSIGDJYSZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-17(2,12-23-16-8-6-7-9-22-16)14-10-13(24-20-14)11-15(21)18(3,4)19-5/h10,16,19H,6-9,11-12H2,1-5H3.
What are the key properties of 3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one?
3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one has a molecular weight of 338.45 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(methylamino)-1-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]butan-2-one is sourced from PubChem (CID 58297113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).