N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide

C20H21N5O2 — CID 110642272

IUPACN-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H21N5O2/c26-19(21-15-16-7-3-1-4-8-16)24-11-13-25(14-12-24)20-23-22-18(27-20)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,26)
InChIKeyDCCRYDRTBUQDCJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.77
Rot. Bonds4

About N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide

N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide (PubChem CID 110642272) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
PubChem CID110642272
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H21N5O2/c26-19(21-15-16-7-3-1-4-8-16)24-11-13-25(14-12-24)20-23-22-18(27-20)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,26)
InChIKeyDCCRYDRTBUQDCJ-UHFFFAOYSA-N
XLogP2.77
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
CID 110642275
N-[(4-ethylphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 53166866
N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 53166857
(2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110416623
N-benzylazonane-1-carboxamide
CID 130689649
1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110642249
2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397212
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide
CID 113106592
azepan-1-yl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 53166848
N-(oxolan-2-ylmethyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 83278502

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide (CID 110642272) is N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide is O=C(NCc1ccccc1)N1CCN(c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is DCCRYDRTBUQDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19(21-15-16-7-3-1-4-8-16)24-11-13-25(14-12-24)20-23-22-18(27-20)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,21,26).
What are the key properties of N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide?
N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 110642272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).