2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone

C17H25NO3 — CID 139237416

IUPAC2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone
SMILESCCC1COC(CC)(CC)N1C(=O)COc1ccccc1
InChIInChI=1S/C17H25NO3/c1-4-14-12-21-17(5-2,6-3)18(14)16(19)13-20-15-10-8-7-9-11-15/h7-11,14H,4-6,12-13H2,1-3H3
InChIKeyCAWTYEOPNTYKGT-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.22
Rot. Bonds6

About 2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone

2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone (PubChem CID 139237416) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone
PubChem CID139237416
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone
SMILESCCC1COC(CC)(CC)N1C(=O)COc1ccccc1
InChIInChI=1S/C17H25NO3/c1-4-14-12-21-17(5-2,6-3)18(14)16(19)13-20-15-10-8-7-9-11-15/h7-11,14H,4-6,12-13H2,1-3H3
InChIKeyCAWTYEOPNTYKGT-UHFFFAOYSA-N
XLogP3.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone (CID 139237416) is 2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone is CCC1COC(CC)(CC)N1C(=O)COc1ccccc1.
What is the InChIKey of 2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is CAWTYEOPNTYKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-14-12-21-17(5-2,6-3)18(14)16(19)13-20-15-10-8-7-9-11-15/h7-11,14H,4-6,12-13H2,1-3H3.
What are the key properties of 2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone?
2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 291.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(2,2,4-triethyl-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 139237416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).