5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one

C15H22N2O4 — CID 60889962

IUPAC5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCCCOc1ccc(CNC)c(OCC2CNC(=O)O2)c1
InChIInChI=1S/C15H22N2O4/c1-3-6-19-12-5-4-11(8-16-2)14(7-12)20-10-13-9-17-15(18)21-13/h4-5,7,13,16H,3,6,8-10H2,1-2H3,(H,17,18)
InChIKeyHBPFDZJDRNBASA-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.68
Rot. Bonds8

About 5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one

5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 60889962) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID60889962
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCCCOc1ccc(CNC)c(OCC2CNC(=O)O2)c1
InChIInChI=1S/C15H22N2O4/c1-3-6-19-12-5-4-11(8-16-2)14(7-12)20-10-13-9-17-15(18)21-13/h4-5,7,13,16H,3,6,8-10H2,1-2H3,(H,17,18)
InChIKeyHBPFDZJDRNBASA-UHFFFAOYSA-N
XLogP1.68
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid
CID 43472370
N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine
CID 62386201
1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 95561590
5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60880902
5-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 63046355
1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
CID 65176070
(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474
1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
CID 82927704
N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62700076
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
CID 66849130
CID 66849130

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one (CID 60889962) is 5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one is CCCOc1ccc(CNC)c(OCC2CNC(=O)O2)c1.
What is the InChIKey of 5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is HBPFDZJDRNBASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-6-19-12-5-4-11(8-16-2)14(7-12)20-10-13-9-17-15(18)21-13/h4-5,7,13,16H,3,6,8-10H2,1-2H3,(H,17,18).
What are the key properties of 5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 294.35 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 60889962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).