4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide

C18H18N4O3 — CID 4053542

IUPAC4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C18H18N4O3/c1-2-3-11-24-15-8-6-13(7-9-15)16(23)20-18-22-21-17(25-18)14-5-4-10-19-12-14/h4-10,12H,2-3,11H2,1H3,(H,20,22,23)
InChIKeyWPMFOYNWFBJCEY-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.56
Rot. Bonds7

About 4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide

4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 4053542) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID4053542
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C18H18N4O3/c1-2-3-11-24-15-8-6-13(7-9-15)16(23)20-18-22-21-17(25-18)14-5-4-10-19-12-14/h4-10,12H,2-3,11H2,1H3,(H,20,22,23)
InChIKeyWPMFOYNWFBJCEY-UHFFFAOYSA-N
XLogP3.56
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide 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

4-butoxy-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655666
N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pentanamide
CID 4621791
3-butoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4525703
4-butoxy-N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41226892
4-pentoxy-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41227499
4-nitro-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 5074075
N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858349
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43975667
3-butoxy-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578258
4-butoxy-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4168904
3-bromo-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 5103347
3-butoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028171

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 4053542) is 4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is CCCCOc1ccc(C(=O)Nc2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of 4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is WPMFOYNWFBJCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-2-3-11-24-15-8-6-13(7-9-15)16(23)20-18-22-21-17(25-18)14-5-4-10-19-12-14/h4-10,12H,2-3,11H2,1H3,(H,20,22,23).
What are the key properties of 4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 338.37 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 4053542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).