(2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide

C19H20N4O2S — CID 131930539

IUPAC(2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1noc(-c2cccs2)n1)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C19H20N4O2S/c24-18(15-8-4-10-23(15)13-14-6-2-1-3-7-14)20-12-17-21-19(25-22-17)16-9-5-11-26-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H,20,24)/t15-/m0/s1
InChIKeyVKAOWZMQSACBEI-HNNXBMFYSA-N
MW368.46 g/mol
LogP3.08
Rot. Bonds6

About (2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide

(2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 131930539) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is (2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID131930539
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name(2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1noc(-c2cccs2)n1)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C19H20N4O2S/c24-18(15-8-4-10-23(15)13-14-6-2-1-3-7-14)20-12-17-21-19(25-22-17)16-9-5-11-26-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H,20,24)/t15-/m0/s1
InChIKeyVKAOWZMQSACBEI-HNNXBMFYSA-N
XLogP3.08
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 95772040
3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 107072602
(2S)-1-benzyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 91788449
N-(furan-2-ylmethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 55579042
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 100682947
(2S)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984925
(2R)-1-benzyl-N-[2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-2-carboxamide
CID 99984929
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 51094960
4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]cyclohexane-1-carboxylic acid
CID 60809560
N-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
CID 134802535
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-benzylpyrrolidine-2-carboxamide
CID 91763258

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide (CID 131930539) is (2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1noc(-c2cccs2)n1)[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is VKAOWZMQSACBEI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-18(15-8-4-10-23(15)13-14-6-2-1-3-7-14)20-12-17-21-19(25-22-17)16-9-5-11-26-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H,20,24)/t15-/m0/s1.
What are the key properties of (2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
(2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 131930539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).