5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one

C15H22N2O3 — CID 115494942

IUPAC5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCCNC(C)Cc1ccc(OCC2CNC(=O)O2)cc1
InChIInChI=1S/C15H22N2O3/c1-3-16-11(2)8-12-4-6-13(7-5-12)19-10-14-9-17-15(18)20-14/h4-7,11,14,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyBVDIEZKEJAYFAU-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.71
Rot. Bonds7

About 5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one

5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 115494942) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID115494942
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILESCCNC(C)Cc1ccc(OCC2CNC(=O)O2)cc1
InChIInChI=1S/C15H22N2O3/c1-3-16-11(2)8-12-4-6-13(7-5-12)19-10-14-9-17-15(18)20-14/h4-7,11,14,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyBVDIEZKEJAYFAU-UHFFFAOYSA-N
XLogP1.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474
5-[[2-[1-(ethylamino)ethyl]-5-methylphenoxy]methyl]-1,3-oxazolidin-2-one
CID 63640817
ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoate
CID 60673999
5-[[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 60881929
5-[[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 62073547
N-ethyl-1-(4-heptoxyphenyl)propan-2-amine
CID 115494863
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
CID 115494903
(5S)-5-[(2-butoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 95561590
N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine
CID 115495069
5-[[2-ethoxy-4-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60880902
2-methyl-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonamide
CID 82914735

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one (CID 115494942) is 5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one is CCNC(C)Cc1ccc(OCC2CNC(=O)O2)cc1.
What is the InChIKey of 5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is BVDIEZKEJAYFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-16-11(2)8-12-4-6-13(7-5-12)19-10-14-9-17-15(18)20-14/h4-7,11,14,16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one?
5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(ethylamino)propyl]phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115494942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).