2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol

C19H26N2O5S — CID 28667706

IUPAC2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol
SMILESCOc1ccc(-c2nc(CN(CCO)[C@@H]3CCS(=O)(=O)C3)c(C)o2)cc1C
InChIInChI=1S/C19H26N2O5S/c1-13-10-15(4-5-18(13)25-3)19-20-17(14(2)26-19)11-21(7-8-22)16-6-9-27(23,24)12-16/h4-5,10,16,22H,6-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyADUAWGQZJRELDP-MRXNPFEDSA-N
MW394.49 g/mol
LogP1.95
Rot. Bonds7

About 2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol

2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol (PubChem CID 28667706) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol
PubChem CID28667706
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol
SMILESCOc1ccc(-c2nc(CN(CCO)[C@@H]3CCS(=O)(=O)C3)c(C)o2)cc1C
InChIInChI=1S/C19H26N2O5S/c1-13-10-15(4-5-18(13)25-3)19-20-17(14(2)26-19)11-21(7-8-22)16-6-9-27(23,24)12-16/h4-5,10,16,22H,6-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyADUAWGQZJRELDP-MRXNPFEDSA-N
XLogP1.95
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-[(4-methoxyphenyl)methyl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 35035304
N-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1,1-dioxo-N-prop-2-enylthiolan-3-amine
CID 45236111
3-[[(1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 77095376
2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110371797
N-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45174340
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 111462481
2-[(1,1-dioxothiolan-3-yl)-[(4-propan-2-ylphenyl)methyl]amino]ethanol
CID 110881825
N-cyclopropyl-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40842820
N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide
CID 51124309
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411840
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 17011050
ethyl 2-[4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-3-yl]acetate
CID 45195557

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol (CID 28667706) is 2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol is COc1ccc(-c2nc(CN(CCO)[C@@H]3CCS(=O)(=O)C3)c(C)o2)cc1C.
What is the InChIKey of 2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol?
The InChIKey is ADUAWGQZJRELDP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-13-10-15(4-5-18(13)25-3)19-20-17(14(2)26-19)11-21(7-8-22)16-6-9-27(23,24)12-16/h4-5,10,16,22H,6-9,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol?
2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol has a molecular weight of 394.49 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1,1-dioxothiolan-3-yl]-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 28667706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).