methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate

C17H18N2O5S — CID 121397853

IUPACmethyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate
SMILESCOC(=O)c1cc(OC[C@H]2COCC(=O)N2)cc(-c2ncc(C)s2)c1
InChIInChI=1S/C17H18N2O5S/c1-10-6-18-16(25-10)11-3-12(17(21)22-2)5-14(4-11)24-8-13-7-23-9-15(20)19-13/h3-6,13H,7-9H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyAMWYGMKIRNVMKF-CYBMUJFWSA-N
MW362.41 g/mol
LogP1.80
Rot. Bonds5

About methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate

methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate (PubChem CID 121397853) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate
PubChem CID121397853
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Namemethyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate
SMILESCOC(=O)c1cc(OC[C@H]2COCC(=O)N2)cc(-c2ncc(C)s2)c1
InChIInChI=1S/C17H18N2O5S/c1-10-6-18-16(25-10)11-3-12(17(21)22-2)5-14(4-11)24-8-13-7-23-9-15(20)19-13/h3-6,13H,7-9H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyAMWYGMKIRNVMKF-CYBMUJFWSA-N
XLogP1.80
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate with MolForge

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Related Compounds

3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoic acid
CID 121397688
3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid
CID 121397148
3-(5-methyl-1,3-thiazol-2-yl)-5-[(5-oxomorpholin-3-yl)methoxy]-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 121405133
3-[[(3S)-4-methyl-5-oxomorpholin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)benzoic acid
CID 121397417
methyl 3-(5-chloro-1,3-thiazol-2-yl)-5-(oxolan-3-ylmethoxy)benzoate
CID 145096613
methyl 3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzoate
CID 121397546
methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]-5-(5-methyl-1,3-thiazol-2-yl)benzoate
CID 121397302
methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxybenzoate
CID 121397743
3-[(3-methyloxolan-3-yl)methoxy]-5-(5-methyl-1,3-thiazol-2-yl)benzoic acid
CID 121397430
N-[(6-methylpyridazin-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]benzamide
CID 121397221
N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxolan-2-ylmethoxy)benzamide
CID 134328164
3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-oxolan-3-yl]methoxy]-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 146501360

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate?
The IUPAC name of methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate (CID 121397853) is methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate.
What is the SMILES notation for methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate?
The canonical SMILES for methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate is COC(=O)c1cc(OC[C@H]2COCC(=O)N2)cc(-c2ncc(C)s2)c1.
What is the InChIKey of methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate?
The InChIKey is AMWYGMKIRNVMKF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-10-6-18-16(25-10)11-3-12(17(21)22-2)5-14(4-11)24-8-13-7-23-9-15(20)19-13/h3-6,13H,7-9H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate?
methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate has a molecular weight of 362.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3R)-5-oxomorpholin-3-yl]methoxy]benzoate is sourced from PubChem (CID 121397853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).