N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide

C17H16N4O2 — CID 22432108

IUPACN-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C17H16N4O2/c1-12-2-4-13(5-3-12)6-11-19-15(22)17-21-20-16(23-17)14-7-9-18-10-8-14/h2-5,7-10H,6,11H2,1H3,(H,19,22)
InChIKeyWTINJXBJQXPKNY-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide

N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22432108) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide
PubChem CID22432108
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C17H16N4O2/c1-12-2-4-13(5-3-12)6-11-19-15(22)17-21-20-16(23-17)14-7-9-18-10-8-14/h2-5,7-10H,6,11H2,1H3,(H,19,22)
InChIKeyWTINJXBJQXPKNY-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-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391082
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906306
2-methyl-N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320797
5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392448
(2R)-N-[(4-methylphenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 92509982
N-[2-(4-chlorophenyl)ethyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837228
5-[(2-methoxyphenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431824
methyl 4-[2-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]ethyl]benzoate
CID 55515291
potassium 5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxylate
CID 71758263
N-[2-(3,4-diethoxyphenyl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134030458
5-(4-fluorophenyl)-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392671
5-(3-methyl-1-benzofuran-2-yl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 53081224

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide (CID 22432108) is N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(CCNC(=O)c2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is WTINJXBJQXPKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-2-4-13(5-3-12)6-11-19-15(22)17-21-20-16(23-17)14-7-9-18-10-8-14/h2-5,7-10H,6,11H2,1H3,(H,19,22).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide?
N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide 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 N-[2-(4-methylphenyl)ethyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22432108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).