(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide

C14H16N4O3S — CID 91923228

IUPAC(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide
SMILESCc1noc([C@@H]2CN(C(=O)Cc3ccsc3)C[C@H]2C(N)=O)n1
InChIInChI=1S/C14H16N4O3S/c1-8-16-14(21-17-8)11-6-18(5-10(11)13(15)20)12(19)4-9-2-3-22-7-9/h2-3,7,10-11H,4-6H2,1H3,(H2,15,20)/t10-,11-/m1/s1
InChIKeyROQIDZKRIOGHRT-GHMZBOCLSA-N
MW320.37 g/mol
LogP0.71
Rot. Bonds4

About (3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide

(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide (PubChem CID 91923228) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is (3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide
PubChem CID91923228
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide
SMILESCc1noc([C@@H]2CN(C(=O)Cc3ccsc3)C[C@H]2C(N)=O)n1
InChIInChI=1S/C14H16N4O3S/c1-8-16-14(21-17-8)11-6-18(5-10(11)13(15)20)12(19)4-9-2-3-22-7-9/h2-3,7,10-11H,4-6H2,1H3,(H2,15,20)/t10-,11-/m1/s1
InChIKeyROQIDZKRIOGHRT-GHMZBOCLSA-N
XLogP0.71
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,3aS,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-thiophen-3-ylethanone
CID 97367354
1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 91653914
1-[(3aR,7R,7aR)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-2-(4-fluorophenyl)ethanone
CID 97364641
1-[2-(2-chloro-6-fluorophenyl)acetyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-3-carboxamide
CID 156611304
1-[1-(2-thiophen-3-ylacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154068
1-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 156606635
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide
CID 95284024
1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 91908063
(3S,4R)-4-(1,3-benzodioxol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxylic acid
CID 70712951
1-[(3R,4R)-3-(1,2,4-oxadiazol-3-yl)-4-phenylpyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 129417124
2-(2-hydroxyphenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 146091266

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide (CID 91923228) is (3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide is Cc1noc([C@@H]2CN(C(=O)Cc3ccsc3)C[C@H]2C(N)=O)n1.
What is the InChIKey of (3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide?
The InChIKey is ROQIDZKRIOGHRT-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-8-16-14(21-17-8)11-6-18(5-10(11)13(15)20)12(19)4-9-2-3-22-7-9/h2-3,7,10-11H,4-6H2,1H3,(H2,15,20)/t10-,11-/m1/s1.
What are the key properties of (3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide?
(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91923228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).