3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide

C19H20N4O2S — CID 118712656

IUPAC3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccsc1)N1CCC(c2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C19H20N4O2S/c24-19(20-11-15-7-9-26-13-15)23-8-6-16(12-23)18-21-17(22-25-18)10-14-4-2-1-3-5-14/h1-5,7,9,13,16H,6,8,10-12H2,(H,20,24)
InChIKeyHHVNXALXKDOOTQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.42
Rot. Bonds5

About 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 118712656) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID118712656
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccsc1)N1CCC(c2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C19H20N4O2S/c24-19(20-11-15-7-9-26-13-15)23-8-6-16(12-23)18-21-17(22-25-18)10-14-4-2-1-3-5-14/h1-5,7,9,13,16H,6,8,10-12H2,(H,20,24)
InChIKeyHHVNXALXKDOOTQ-UHFFFAOYSA-N
XLogP3.42
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone
CID 1453697
N-(4-ethylbenzyl)-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionamide
CID 9550880
2-(4-Fluorophenyl)-1-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]ethanone
CID 52952086
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide
CID 91668291
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-3-ylmethyl)piperidine-1-carboxamide
CID 118712630
2-Phenyl-1-[3-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone
CID 652744
N-[(4-methylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 7437463
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 118712627
(S)-4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-{[p-(trifluoromethyl)phenyl]methyl}-2-pyrrolidinone
CID 30842311
1-(4-Fluorobenzyl)-4-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 44095390
4-(3-(Thiophen-2-yl)-1,2,4-oxadiazol-5-yl)-1-(4-(trifluoromethyl)benzyl)pyrrolidin-2-one
CID 44095405
N-(4-fluorobenzyl)-2-(4-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)acetamide
CID 49664558

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide (CID 118712656) is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide is O=C(NCc1ccsc1)N1CCC(c2nc(Cc3ccccc3)no2)C1.
What is the InChIKey of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is HHVNXALXKDOOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-19(20-11-15-7-9-26-13-15)23-8-6-16(12-23)18-21-17(22-25-18)10-14-4-2-1-3-5-14/h1-5,7,9,13,16H,6,8,10-12H2,(H,20,24).
What are the key properties of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 118712656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).