(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide

C16H20N4O4S — CID 91911139

IUPAC(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2sccc2C)C[C@H]1c1nc(COC)no1
InChIInChI=1S/C16H20N4O4S/c1-9-4-5-25-13(9)16(22)20-6-10(14(21)17-2)11(7-20)15-18-12(8-23-3)19-24-15/h4-5,10-11H,6-8H2,1-3H3,(H,17,21)/t10-,11-/m1/s1
InChIKeyDJEVYMZHFGIELI-GHMZBOCLSA-N
MW364.43 g/mol
LogP1.19
Rot. Bonds5

About (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide

(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 91911139) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID91911139
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2sccc2C)C[C@H]1c1nc(COC)no1
InChIInChI=1S/C16H20N4O4S/c1-9-4-5-25-13(9)16(22)20-6-10(14(21)17-2)11(7-20)15-18-12(8-23-3)19-24-15/h4-5,10-11H,6-8H2,1-3H3,(H,17,21)/t10-,11-/m1/s1
InChIKeyDJEVYMZHFGIELI-GHMZBOCLSA-N
XLogP1.19
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide (CID 91911139) is (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2sccc2C)C[C@H]1c1nc(COC)no1.
What is the InChIKey of (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is DJEVYMZHFGIELI-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-9-4-5-25-13(9)16(22)20-6-10(14(21)17-2)11(7-20)15-18-12(8-23-3)19-24-15/h4-5,10-11H,6-8H2,1-3H3,(H,17,21)/t10-,11-/m1/s1.
What are the key properties of (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide?
(3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91911139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).