4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one

C17H26N2O3 — CID 2794001

IUPAC4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCNC(C)C(OCC1COC(=O)N1C(C)C)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-12(2)19-15(11-22-17(19)20)10-21-16(13(3)18-4)14-8-6-5-7-9-14/h5-9,12-13,15-16,18H,10-11H2,1-4H3
InChIKeyOSTZSGRIRSUNFX-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.58
Rot. Bonds7

About 4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one

4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 2794001) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID2794001
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCNC(C)C(OCC1COC(=O)N1C(C)C)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-12(2)19-15(11-22-17(19)20)10-21-16(13(3)18-4)14-8-6-5-7-9-14/h5-9,12-13,15-16,18H,10-11H2,1-4H3
InChIKeyOSTZSGRIRSUNFX-UHFFFAOYSA-N
XLogP2.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one (CID 2794001) is 4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one is CNC(C)C(OCC1COC(=O)N1C(C)C)c1ccccc1.
What is the InChIKey of 4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is OSTZSGRIRSUNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)19-15(11-22-17(19)20)10-21-16(13(3)18-4)14-8-6-5-7-9-14/h5-9,12-13,15-16,18H,10-11H2,1-4H3.
What are the key properties of 4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 306.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)-1-phenylpropoxy]methyl]-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 2794001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).