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

C18H16N4O3 — CID 110330455

IUPACN-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C18H16N4O3/c1-12(23)13-4-2-6-15(10-13)20-16(24)7-8-17-21-22-18(25-17)14-5-3-9-19-11-14/h2-6,9-11H,7-8H2,1H3,(H,20,24)
InChIKeyGMXBWWPDFJORGR-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.91
Rot. Bonds6

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

N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110330455) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110330455
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C18H16N4O3/c1-12(23)13-4-2-6-15(10-13)20-16(24)7-8-17-21-22-18(25-17)14-5-3-9-19-11-14/h2-6,9-11H,7-8H2,1H3,(H,20,24)
InChIKeyGMXBWWPDFJORGR-UHFFFAOYSA-N
XLogP2.91
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate
CID 110330457
N-(3-acetamidophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330586
N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
CID 43043450
methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
CID 110334979
N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330424
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
N-(3-bromophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330596
N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29199706
N-(3-chlorophenyl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330570
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51132975
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
methyl 3-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoate
CID 16765520

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 110330455) is N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CC(=O)c1cccc(NC(=O)CCc2nnc(-c3cccnc3)o2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is GMXBWWPDFJORGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12(23)13-4-2-6-15(10-13)20-16(24)7-8-17-21-22-18(25-17)14-5-3-9-19-11-14/h2-6,9-11H,7-8H2,1H3,(H,20,24).
What are the key properties of N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 336.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110330455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).