methyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride

C19H28Cl2N2O5 — CID 14076236

IUPACmethyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride
SMILESCOC(=O)COc1ccc(CC(C)NCC(O)c2nc(C)oc2C)cc1.Cl.Cl
InChIInChI=1S/C19H26N2O5.2ClH/c1-12(20-10-17(22)19-13(2)26-14(3)21-19)9-15-5-7-16(8-6-15)25-11-18(23)24-4;;/h5-8,12,17,20,22H,9-11H2,1-4H3;2*1H
InChIKeyDCCXBHMGBMTRQI-UHFFFAOYSA-N
MW435.35 g/mol
LogP2.94
Rot. Bonds9

About methyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride

methyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride (PubChem CID 14076236) has the molecular formula C19H28Cl2N2O5 and a molecular weight of 435.35 g/mol. Its IUPAC name is methyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride
PubChem CID14076236
Molecular FormulaC19H28Cl2N2O5
Molecular Weight435.35 g/mol
Exact Mass434.14
IUPAC Namemethyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride
SMILESCOC(=O)COc1ccc(CC(C)NCC(O)c2nc(C)oc2C)cc1.Cl.Cl
InChIInChI=1S/C19H26N2O5.2ClH/c1-12(20-10-17(22)19-13(2)26-14(3)21-19)9-15-5-7-16(8-6-15)25-11-18(23)24-4;;/h5-8,12,17,20,22H,9-11H2,1-4H3;2*1H
InChIKeyDCCXBHMGBMTRQI-UHFFFAOYSA-N
XLogP2.94
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride with MolForge

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Related Compounds

methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
CID 154281922
methyl 2-[4-[2-[[2-hydroxy-2-(1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate
CID 19974207
methyl 2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]acetate
CID 67905669
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;hydrobromide
CID 6918146
methyl 2-[4-[2-[[2-hydroxy-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenoxy]acetate
CID 19974348
methyl 2-[4-[2-[[2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]amino]propyl]phenoxy]acetate
CID 19690919
ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate
CID 115494998
methyl 2-[4-[2-[[2-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetate
CID 19974122
ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
CID 115495172
methyl 2-[4-[2-[[3-[3,4-bis(phenylmethoxy)phenoxy]-2-hydroxypropyl]amino]propyl]phenoxy]acetate
CID 86752189
methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate
CID 54061917
methyl 2-[4-[2-[[2-(2-hydroxyethoxy)-2-(2,4,5-trifluoro-3-methylphenyl)ethyl]amino]propyl]phenoxy]acetate
CID 88670825

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride?
The IUPAC name of methyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride (CID 14076236) is methyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride.
What is the SMILES notation for methyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride?
The canonical SMILES for methyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride is COC(=O)COc1ccc(CC(C)NCC(O)c2nc(C)oc2C)cc1.Cl.Cl.
What is the InChIKey of methyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride?
The InChIKey is DCCXBHMGBMTRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5.2ClH/c1-12(20-10-17(22)19-13(2)26-14(3)21-19)9-15-5-7-16(8-6-15)25-11-18(23)24-4;;/h5-8,12,17,20,22H,9-11H2,1-4H3;2*1H.
What are the key properties of methyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride?
methyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride has a molecular weight of 435.35 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;dihydrochloride is sourced from PubChem (CID 14076236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).