3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide

C17H16N4O2 — CID 18107156

IUPAC3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
SMILESCc1ccc(-c2nnc(CCC(=O)Nc3ccccn3)o2)cc1
InChIInChI=1S/C17H16N4O2/c1-12-5-7-13(8-6-12)17-21-20-16(23-17)10-9-15(22)19-14-4-2-3-11-18-14/h2-8,11H,9-10H2,1H3,(H,18,19,22)
InChIKeyZDUANLRHAMIJRC-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.01
Rot. Bonds5

About 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide

3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide (PubChem CID 18107156) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
PubChem CID18107156
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
SMILESCc1ccc(-c2nnc(CCC(=O)Nc3ccccn3)o2)cc1
InChIInChI=1S/C17H16N4O2/c1-12-5-7-13(8-6-12)17-21-20-16(23-17)10-9-15(22)19-14-4-2-3-11-18-14/h2-8,11H,9-10H2,1H3,(H,18,19,22)
InChIKeyZDUANLRHAMIJRC-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 24645445
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-pyrimidin-2-ylpropanamide
CID 29368415
N-(2-ethoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229615
N-[2-(N-methylanilino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55753849
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 86896512
N-(3-hydroxy-2-pyridinyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 30162184
N-(3,4-dichlorophenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9071658
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55865297
N-[4-(diethylamino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55412214
N'-[2-(2-fluorophenoxy)acetyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanehydrazide
CID 9085872
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide
CID 134013000
N-cycloheptyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9082261

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide (CID 18107156) is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide is Cc1ccc(-c2nnc(CCC(=O)Nc3ccccn3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is ZDUANLRHAMIJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-5-7-13(8-6-12)17-21-20-16(23-17)10-9-15(22)19-14-4-2-3-11-18-14/h2-8,11H,9-10H2,1H3,(H,18,19,22).
What are the key properties of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide?
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 308.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 18107156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).