N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide

C14H18N4O2 — CID 110330217

IUPACN-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCCCNC(=O)CCc1nnc(-c2ccccn2)o1
InChIInChI=1S/C14H18N4O2/c1-2-3-9-16-12(19)7-8-13-17-18-14(20-13)11-6-4-5-10-15-11/h4-6,10H,2-3,7-9H2,1H3,(H,16,19)
InChIKeyVIYMANAQAVBLHA-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.98
Rot. Bonds7

About N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide

N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110330217) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110330217
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCCCNC(=O)CCc1nnc(-c2ccccn2)o1
InChIInChI=1S/C14H18N4O2/c1-2-3-9-16-12(19)7-8-13-17-18-14(20-13)11-6-4-5-10-15-11/h4-6,10H,2-3,7-9H2,1H3,(H,16,19)
InChIKeyVIYMANAQAVBLHA-UHFFFAOYSA-N
XLogP1.98
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330251
N-phenyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330293
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-octylpropanamide
CID 18859405
2-(4-methylphenoxy)-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110320557
methyl 5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoate
CID 59027826
N-butyl-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335010
N-(2-fluorophenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330308
N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330318
5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 54929886
2-(4-chlorophenyl)-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110320533
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
N-(3-chlorophenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330310

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 110330217) is N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide is CCCCNC(=O)CCc1nnc(-c2ccccn2)o1.
What is the InChIKey of N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is VIYMANAQAVBLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-3-9-16-12(19)7-8-13-17-18-14(20-13)11-6-4-5-10-15-11/h4-6,10H,2-3,7-9H2,1H3,(H,16,19).
What are the key properties of N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110330217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).