2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide

C17H16N4O2 — CID 110320797

IUPAC2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCc1nnc(-c2ccncc2)o1
InChIInChI=1S/C17H16N4O2/c1-12-4-2-3-5-14(12)16(22)19-11-8-15-20-21-17(23-15)13-6-9-18-10-7-13/h2-7,9-10H,8,11H2,1H3,(H,19,22)
InChIKeyBFCKPIVKXPWTAN-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.41
Rot. Bonds5

About 2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide

2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (PubChem CID 110320797) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
PubChem CID110320797
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCc1nnc(-c2ccncc2)o1
InChIInChI=1S/C17H16N4O2/c1-12-4-2-3-5-14(12)16(22)19-11-8-15-20-21-17(23-15)13-6-9-18-10-7-13/h2-7,9-10H,8,11H2,1H3,(H,19,22)
InChIKeyBFCKPIVKXPWTAN-UHFFFAOYSA-N
XLogP2.41
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyridine-4-carboxamide
CID 110321211
3-phenyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320848
2,2-dimethyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 110320792
2,3-difluoro-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 146126861
N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide
CID 110320787
2-methoxy-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321299
2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321450
N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110320840
N-(3-bromo-4-methylphenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330578
N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320865
N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318804
N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide
CID 22432108

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (CID 110320797) is 2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is Cc1ccccc1C(=O)NCCc1nnc(-c2ccncc2)o1.
What is the InChIKey of 2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The InChIKey is BFCKPIVKXPWTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-4-2-3-5-14(12)16(22)19-11-8-15-20-21-17(23-15)13-6-9-18-10-7-13/h2-7,9-10H,8,11H2,1H3,(H,19,22).
What are the key properties of 2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110320797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).