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

C19H26N4O2 — CID 95772040

IUPAC(2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1nc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)no1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)18-21-16(22-25-18)12-20-17(24)15-10-7-11-23(15)13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,20,24)/t15-/m0/s1
InChIKeyKLVTUHVGNIEZOO-HNNXBMFYSA-N
MW342.44 g/mol
LogP2.65
Rot. Bonds5

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

(2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 95772040) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID95772040
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1nc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)no1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)18-21-16(22-25-18)12-20-17(24)15-10-7-11-23(15)13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,20,24)/t15-/m0/s1
InChIKeyKLVTUHVGNIEZOO-HNNXBMFYSA-N
XLogP2.65
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
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CID 110632719
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
(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
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(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-benzylpyrrolidine-2-carboxamide
CID 91763258
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
1-benzyl-N-[(1-propylpyrrol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 102563188

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide (CID 95772040) is (2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide is CC(C)(C)c1nc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)no1.
What is the InChIKey of (2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is KLVTUHVGNIEZOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)18-21-16(22-25-18)12-20-17(24)15-10-7-11-23(15)13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
(2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95772040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).