methyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate

C19H22N2O5S — CID 3865004

IUPACmethyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate
SMILESCOC(=O)CC(=O)c1ccc(OCC2CN(Cc3nccs3)CCO2)cc1
InChIInChI=1S/C19H22N2O5S/c1-24-19(23)10-17(22)14-2-4-15(5-3-14)26-13-16-11-21(7-8-25-16)12-18-20-6-9-27-18/h2-6,9,16H,7-8,10-13H2,1H3
InChIKeyYUJKOHXVMFORKM-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.17
Rot. Bonds8

About methyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate

methyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate (PubChem CID 3865004) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is methyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate
PubChem CID3865004
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Namemethyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate
SMILESCOC(=O)CC(=O)c1ccc(OCC2CN(Cc3nccs3)CCO2)cc1
InChIInChI=1S/C19H22N2O5S/c1-24-19(23)10-17(22)14-2-4-15(5-3-14)26-13-16-11-21(7-8-25-16)12-18-20-6-9-27-18/h2-6,9,16H,7-8,10-13H2,1H3
InChIKeyYUJKOHXVMFORKM-UHFFFAOYSA-N
XLogP2.17
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate with MolForge

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Related Compounds

methyl 3-[4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]-3-oxopropanoate
CID 3678633
methyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate
CID 99979862
methyl 3-[4-[[4-(6-bromopyridine-2-carbonyl)morpholin-2-yl]methoxy]phenyl]-3-oxopropanoate
CID 3846581
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991
1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
CID 74225388
ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567699
ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate
CID 99979464
methyl 3-[4-[[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)morpholin-2-yl]methoxy]phenyl]-3-oxopropanoate
CID 3812632
2-[(2S)-2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979640
(2R)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 124941077
(2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 124941078
4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine
CID 74228170

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate?
The IUPAC name of methyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate (CID 3865004) is methyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate is COC(=O)CC(=O)c1ccc(OCC2CN(Cc3nccs3)CCO2)cc1.
What is the InChIKey of methyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate?
The InChIKey is YUJKOHXVMFORKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-24-19(23)10-17(22)14-2-4-15(5-3-14)26-13-16-11-21(7-8-25-16)12-18-20-6-9-27-18/h2-6,9,16H,7-8,10-13H2,1H3.
What are the key properties of methyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate?
methyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate has a molecular weight of 390.46 g/mol, XLogP of 2.17, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate is sourced from PubChem (CID 3865004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).