N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide

C20H20N4O2 — CID 90653338

IUPACN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide
SMILESO=C(NCc1noc(-c2ccccc2)n1)c1ccccc1N1CCCC1
InChIInChI=1S/C20H20N4O2/c25-19(16-10-4-5-11-17(16)24-12-6-7-13-24)21-14-18-22-20(26-23-18)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,21,25)
InChIKeyRHACLBPVJAZISS-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.27
Rot. Bonds5

About N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide

N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide (PubChem CID 90653338) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide
PubChem CID90653338
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide
SMILESO=C(NCc1noc(-c2ccccc2)n1)c1ccccc1N1CCCC1
InChIInChI=1S/C20H20N4O2/c25-19(16-10-4-5-11-17(16)24-12-6-7-13-24)21-14-18-22-20(26-23-18)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,21,25)
InChIKeyRHACLBPVJAZISS-UHFFFAOYSA-N
XLogP3.27
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
CID 53002354
2-bromo-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3903910
2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 46961231
2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 46964328
3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51233804
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide
CID 51098204
2-bromo-N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049021
1-(4-methylphenyl)-3-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
CID 46917444
N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-nitrobenzamide
CID 4297901
2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide
CID 46964324
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032406

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide (CID 90653338) is N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide is O=C(NCc1noc(-c2ccccc2)n1)c1ccccc1N1CCCC1.
What is the InChIKey of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is RHACLBPVJAZISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(16-10-4-5-11-17(16)24-12-6-7-13-24)21-14-18-22-20(26-23-18)15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,21,25).
What are the key properties of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide?
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 348.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 90653338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).