ethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate

C11H17N3O4S — CID 116699933

IUPACethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(SCC2CN(C)CCO2)o1
InChIInChI=1S/C11H17N3O4S/c1-3-16-10(15)9-12-13-11(18-9)19-7-8-6-14(2)4-5-17-8/h8H,3-7H2,1-2H3
InChIKeyDGVSXJOUMASIJF-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.67
Rot. Bonds5

About ethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate

ethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate (PubChem CID 116699933) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate
PubChem CID116699933
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Nameethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate
SMILESCCOC(=O)c1nnc(SCC2CN(C)CCO2)o1
InChIInChI=1S/C11H17N3O4S/c1-3-16-10(15)9-12-13-11(18-9)19-7-8-6-14(2)4-5-17-8/h8H,3-7H2,1-2H3
InChIKeyDGVSXJOUMASIJF-UHFFFAOYSA-N
XLogP0.67
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate with MolForge

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Related Compounds

ethyl 5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate
CID 116700034
ethyl 5-(oxan-2-ylmethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate
CID 116700057
ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 79363751
ethyl 5-[2-(ethoxycarbonylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazole-2-carboxylate
CID 116699985
ethyl 5-[2-oxo-2-(pentan-2-ylamino)ethyl]sulfanyl-1,3,4-oxadiazole-2-carboxylate
CID 116699893
ethyl 5-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazole-2-carboxylate
CID 116699770
O-[(4-methylmorpholin-2-yl)methyl]hydroxylamine
CID 79427912
ethyl 3-amino-4-[(4-methylmorpholin-2-yl)methylamino]benzoate
CID 79072138
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate
CID 79071225
2-[(4-methylmorpholin-2-yl)methylsulfanyl]benzoic acid
CID 79165122
ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate
CID 78942696
4-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-2-carboxylic acid
CID 79554802

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate (CID 116699933) is ethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate is CCOC(=O)c1nnc(SCC2CN(C)CCO2)o1.
What is the InChIKey of ethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is DGVSXJOUMASIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-3-16-10(15)9-12-13-11(18-9)19-7-8-6-14(2)4-5-17-8/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-methylmorpholin-2-yl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 116699933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).