3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide

C19H19N5O4S — CID 30661160

IUPAC3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)Cn2nc(-c3cccs3)oc2=O)c1
InChIInChI=1S/C19H19N5O4S/c20-17(26)12-5-6-14(23-7-1-2-8-23)13(10-12)21-16(25)11-24-19(27)28-18(22-24)15-4-3-9-29-15/h3-6,9-10H,1-2,7-8,11H2,(H2,20,26)(H,21,25)
InChIKeyIVXPSTNWZWXETG-UHFFFAOYSA-N
MW413.46 g/mol
LogP1.90
Rot. Bonds6

About 3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide

3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide (PubChem CID 30661160) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is 3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
PubChem CID30661160
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC Name3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)Cn2nc(-c3cccs3)oc2=O)c1
InChIInChI=1S/C19H19N5O4S/c20-17(26)12-5-6-14(23-7-1-2-8-23)13(10-12)21-16(25)11-24-19(27)28-18(22-24)15-4-3-9-29-15/h3-6,9-10H,1-2,7-8,11H2,(H2,20,26)(H,21,25)
InChIKeyIVXPSTNWZWXETG-UHFFFAOYSA-N
XLogP1.90
TPSA123.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-phenylphenyl)acetamide
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[4-[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]phenyl]urea
CID 34006331
3-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
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3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
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3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 24675991
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
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CID 60556897
3-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 55909801
3-[[2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetyl]amino]-4-piperidin-1-ylbenzamide
CID 51631214
3-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 47027015
2-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of 3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide (CID 30661160) is 3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide is NC(=O)c1ccc(N2CCCC2)c(NC(=O)Cn2nc(-c3cccs3)oc2=O)c1.
What is the InChIKey of 3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is IVXPSTNWZWXETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c20-17(26)12-5-6-14(23-7-1-2-8-23)13(10-12)21-16(25)11-24-19(27)28-18(22-24)15-4-3-9-29-15/h3-6,9-10H,1-2,7-8,11H2,(H2,20,26)(H,21,25).
What are the key properties of 3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide?
3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 413.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 30661160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).