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

C17H16N4O2 — CID 110330424

IUPACN-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1ccccc1NC(=O)CCc1nnc(-c2cccnc2)o1
InChIInChI=1S/C17H16N4O2/c1-12-5-2-3-7-14(12)19-15(22)8-9-16-20-21-17(23-16)13-6-4-10-18-11-13/h2-7,10-11H,8-9H2,1H3,(H,19,22)
InChIKeyYSIKABQCPIHPCF-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.01
Rot. Bonds5

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

N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110330424) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110330424
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1ccccc1NC(=O)CCc1nnc(-c2cccnc2)o1
InChIInChI=1S/C17H16N4O2/c1-12-5-2-3-7-14(12)19-15(22)8-9-16-20-21-17(23-16)13-6-4-10-18-11-13/h2-7,10-11H,8-9H2,1H3,(H,19,22)
InChIKeyYSIKABQCPIHPCF-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

N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330455
N-(2-ethylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217348
methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate
CID 110330457
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51132975
N-cyclopentyl-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330351
N-naphthalen-1-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 18859374
N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330378
N-(2-tert-butylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 110333760
N-(4-acetamido-3-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46421722
3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 110334156
N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330385
N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334933

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 110330424) is N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide is Cc1ccccc1NC(=O)CCc1nnc(-c2cccnc2)o1.
What is the InChIKey of N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is YSIKABQCPIHPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-5-2-3-7-14(12)19-15(22)8-9-16-20-21-17(23-16)13-6-4-10-18-11-13/h2-7,10-11H,8-9H2,1H3,(H,19,22).
What are the key properties of N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide 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 N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110330424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).