N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide

C15H17N3O2 — CID 47437849

IUPACN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
SMILESO=C(NCc1nc(Cc2ccccc2)no1)C1CCC1
InChIInChI=1S/C15H17N3O2/c19-15(12-7-4-8-12)16-10-14-17-13(18-20-14)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,19)
InChIKeyKAPHTWHENOUXEO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.08
Rot. Bonds5

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

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide (PubChem CID 47437849) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
PubChem CID47437849
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
SMILESO=C(NCc1nc(Cc2ccccc2)no1)C1CCC1
InChIInChI=1S/C15H17N3O2/c19-15(12-7-4-8-12)16-10-14-17-13(18-20-14)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,19)
InChIKeyKAPHTWHENOUXEO-UHFFFAOYSA-N
XLogP2.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide 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

(2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 95587013
N-benzylcyclobutanecarboxamide
CID 730128
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72917523
(3R)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97189926
(3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide
CID 97155010
N-[(3-benzyl-1,2-oxazol-5-yl)methyl]cyclohexanecarboxamide
CID 23063364
N-benzylcyclopentanecarboxamide
CID 835634
cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 92903083
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120841331
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077
2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131933975

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide (CID 47437849) is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide is O=C(NCc1nc(Cc2ccccc2)no1)C1CCC1.
What is the InChIKey of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide?
The InChIKey is KAPHTWHENOUXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(12-7-4-8-12)16-10-14-17-13(18-20-14)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,19).
What are the key properties of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide?
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 47437849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).