N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide

C21H21N3O2 — CID 71980384

IUPACN-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cc1noc(C2(c3ccccc3)CCC2)n1)NCc1ccccc1
InChIInChI=1S/C21H21N3O2/c25-19(22-15-16-8-3-1-4-9-16)14-18-23-20(26-24-18)21(12-7-13-21)17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,22,25)
InChIKeyJBTRWUDHZQOJGE-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.40
Rot. Bonds6

About N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide

N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 71980384) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID71980384
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cc1noc(C2(c3ccccc3)CCC2)n1)NCc1ccccc1
InChIInChI=1S/C21H21N3O2/c25-19(22-15-16-8-3-1-4-9-16)14-18-23-20(26-24-18)21(12-7-13-21)17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,22,25)
InChIKeyJBTRWUDHZQOJGE-UHFFFAOYSA-N
XLogP3.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[5-[(1-hydroxycyclohexyl)methyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 75506736
N-benzyl-2-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)acetamide
CID 75494074
3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 45491121
N-benzyl-2-[5-(5-cyclopropyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 71876926
N,N-dimethyl-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 99785627
N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 99714817
N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 107911441
3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45490962
1-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851992
2-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838572
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 90978973
1-[1-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-3-benzylurea;hydrochloride
CID 120855897

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide (CID 71980384) is N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide is O=C(Cc1noc(C2(c3ccccc3)CCC2)n1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is JBTRWUDHZQOJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-19(22-15-16-8-3-1-4-9-16)14-18-23-20(26-24-18)21(12-7-13-21)17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,22,25).
What are the key properties of N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide?
N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 71980384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).