methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate

C10H16N4O5S — CID 102703727

IUPACmethyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C10H16N4O5S/c1-18-8(15)4-6-20(16,17)14-10-13-12-9(19-10)7-3-2-5-11-7/h7,11H,2-6H2,1H3,(H,13,14)
InChIKeySOBJQUZOSXSVIP-UHFFFAOYSA-N
MW304.33 g/mol
LogP-0.20
Rot. Bonds6

About methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate

methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate (PubChem CID 102703727) has the molecular formula C10H16N4O5S and a molecular weight of 304.33 g/mol. Its IUPAC name is methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate
PubChem CID102703727
Molecular FormulaC10H16N4O5S
Molecular Weight304.33 g/mol
Exact Mass304.08
IUPAC Namemethyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C10H16N4O5S/c1-18-8(15)4-6-20(16,17)14-10-13-12-9(19-10)7-3-2-5-11-7/h7,11H,2-6H2,1H3,(H,13,14)
InChIKeySOBJQUZOSXSVIP-UHFFFAOYSA-N
XLogP-0.20
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate with MolForge

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Related Compounds

1-cyclopropyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)methanesulfonamide
CID 102703702
methyl 4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfamoyl]butanoate
CID 61460458
1-ethyl-1-methyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 102703621
1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 102703600
2-methylsulfanyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 102703433
2-ethoxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 102703310
2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide
CID 102703341
2-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-imidazole-5-sulfonamide
CID 102703739
3-pyrrolidin-1-yl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 102703544
4-methyl-2-oxo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-3H-1,3-thiazole-5-sulfonamide
CID 102703654
2-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 102703815
N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 102703484

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate (CID 102703727) is methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate is COC(=O)CCS(=O)(=O)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate?
The InChIKey is SOBJQUZOSXSVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5S/c1-18-8(15)4-6-20(16,17)14-10-13-12-9(19-10)7-3-2-5-11-7/h7,11H,2-6H2,1H3,(H,13,14).
What are the key properties of methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate?
methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate has a molecular weight of 304.33 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate is sourced from PubChem (CID 102703727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).