N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C16H22N6O4S — CID 155495295

IUPACN-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCCc1nnc(N2CC(C(=O)NCc3noc(CCOC)n3)CC2=O)s1
InChIInChI=1S/C16H22N6O4S/c1-3-4-13-19-20-16(27-13)22-9-10(7-14(22)23)15(24)17-8-11-18-12(26-21-11)5-6-25-2/h10H,3-9H2,1-2H3,(H,17,24)
InChIKeyARRGSNLLUSJLJK-UHFFFAOYSA-N
MW394.46 g/mol
LogP0.73
Rot. Bonds9

About N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 155495295) has the molecular formula C16H22N6O4S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID155495295
Molecular FormulaC16H22N6O4S
Molecular Weight394.46 g/mol
Exact Mass394.14
IUPAC NameN-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCCc1nnc(N2CC(C(=O)NCc3noc(CCOC)n3)CC2=O)s1
InChIInChI=1S/C16H22N6O4S/c1-3-4-13-19-20-16(27-13)22-9-10(7-14(22)23)15(24)17-8-11-18-12(26-21-11)5-6-25-2/h10H,3-9H2,1-2H3,(H,17,24)
InChIKeyARRGSNLLUSJLJK-UHFFFAOYSA-N
XLogP0.73
TPSA123.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-tert-butyl-N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97132355
5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 155498369
formic acid;N-(imidazo[1,2-a]pyrazin-2-ylmethyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 155939262
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154823517
methyl 1-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693081
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154819627
5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 155501749
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 155493660
(3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92589248
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155503880
formic acid;N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 155940112
formic acid;5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 155939162

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 155495295) is N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CCCc1nnc(N2CC(C(=O)NCc3noc(CCOC)n3)CC2=O)s1.
What is the InChIKey of N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is ARRGSNLLUSJLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O4S/c1-3-4-13-19-20-16(27-13)22-9-10(7-14(22)23)15(24)17-8-11-18-12(26-21-11)5-6-25-2/h10H,3-9H2,1-2H3,(H,17,24).
What are the key properties of N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 0.73, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxo-1-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 155495295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).