[2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate

C19H26N2O3 — CID 46986497

IUPAC[2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate
SMILESCC(=O)OCc1c(C)cc(C)c(CN(C)C(C)c2ccon2)c1C
InChIInChI=1S/C19H26N2O3/c1-12-9-13(2)18(11-23-16(5)22)14(3)17(12)10-21(6)15(4)19-7-8-24-20-19/h7-9,15H,10-11H2,1-6H3
InChIKeyAYBOXBVCUYOXOG-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.86
Rot. Bonds6

About [2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate

[2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate (PubChem CID 46986497) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is [2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate.

Molecular Properties

Compound Name[2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate
PubChem CID46986497
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name[2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate
SMILESCC(=O)OCc1c(C)cc(C)c(CN(C)C(C)c2ccon2)c1C
InChIInChI=1S/C19H26N2O3/c1-12-9-13(2)18(11-23-16(5)22)14(3)17(12)10-21(6)15(4)19-7-8-24-20-19/h7-9,15H,10-11H2,1-6H3
InChIKeyAYBOXBVCUYOXOG-UHFFFAOYSA-N
XLogP3.86
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate?
The IUPAC name of [2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate (CID 46986497) is [2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate.
What is the SMILES notation for [2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate?
The canonical SMILES for [2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate is CC(=O)OCc1c(C)cc(C)c(CN(C)C(C)c2ccon2)c1C.
What is the InChIKey of [2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate?
The InChIKey is AYBOXBVCUYOXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12-9-13(2)18(11-23-16(5)22)14(3)17(12)10-21(6)15(4)19-7-8-24-20-19/h7-9,15H,10-11H2,1-6H3.
What are the key properties of [2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate?
[2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate has a molecular weight of 330.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,6-trimethyl-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]phenyl]methyl acetate is sourced from PubChem (CID 46986497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).