methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate

C13H15N3O4S — CID 78993394

IUPACmethyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2nnc(-c3cccs3)o2)CCO1
InChIInChI=1S/C13H15N3O4S/c1-18-13(17)9-7-16(4-5-19-9)8-11-14-15-12(20-11)10-3-2-6-21-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeySPHPBDWDBQFYLD-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.17
Rot. Bonds4

About methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate

methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate (PubChem CID 78993394) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate
PubChem CID78993394
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Namemethyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2nnc(-c3cccs3)o2)CCO1
InChIInChI=1S/C13H15N3O4S/c1-18-13(17)9-7-16(4-5-19-9)8-11-14-15-12(20-11)10-3-2-6-21-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeySPHPBDWDBQFYLD-UHFFFAOYSA-N
XLogP1.17
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate with MolForge

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Related Compounds

(3R)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 78993305
2-(2-methylmorpholin-4-yl)-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 134055238
methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate
CID 78925845
3-(4-methoxyphenyl)-1-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 86970246
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
methyl 4-(2-thiophen-2-ylsulfanylacetyl)morpholine-2-carboxylate
CID 78926910
1-(2-methylmorpholin-4-yl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 46675633
methyl (2S)-4-(1-benzothiophen-2-ylmethyl)morpholine-2-carboxylate
CID 97159017
methyl 1-[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 7981721
methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 113346045
(2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
CID 95894538

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate (CID 78993394) is methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate is COC(=O)C1CN(Cc2nnc(-c3cccs3)o2)CCO1.
What is the InChIKey of methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate?
The InChIKey is SPHPBDWDBQFYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-18-13(17)9-7-16(4-5-19-9)8-11-14-15-12(20-11)10-3-2-6-21-10/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate?
methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate has a molecular weight of 309.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine-2-carboxylate is sourced from PubChem (CID 78993394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).