1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

C16H13Cl2N3O2 — CID 72708548

IUPAC1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)nc2)OC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3O2/c1-9-3-4-11(8-19-9)15-20-21(10(2)22)16(23-15)13-6-5-12(17)7-14(13)18/h3-8,16H,1-2H3
InChIKeyPZAAPCWSBVZUOW-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.94
Rot. Bonds2

About 1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (PubChem CID 72708548) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
PubChem CID72708548
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC Name1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccc(C)nc2)OC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3O2/c1-9-3-4-11(8-19-9)15-20-21(10(2)22)16(23-15)13-6-5-12(17)7-14(13)18/h3-8,16H,1-2H3
InChIKeyPZAAPCWSBVZUOW-UHFFFAOYSA-N
XLogP3.94
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone with MolForge

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Related Compounds

1-[5-phenyl-2-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3157934
1-[5-(4-methylphenyl)-2-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3157935
1-[2-(2-Chlorophenyl)-5-(3-pyridyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethan-1-one
CID 2796437
1-[2-(3,4-dichlorophenyl)-5-(4-pyridyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 5270587
1-[2-(4-Chlorophenyl)-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 72708547
1-[2-(3-chloro-2-fluorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 72708549
4-[5-(2,4-Dichloro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine
CID 382361
1-[2-(2,4-dichlorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 23661088
1-[2-(2,6-dichlorophenyl)-5-(4-pyrrol-1-ylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 25112503
4-[4-Acetyl-5-(4-chlorophenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]pyridine
CID 54578558
1-[2-[4-(dimethylamino)phenyl]-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 54578559
1-[5-(6-methyl-3-pyridinyl)-2-(4-phenylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 72708507

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone (CID 72708548) is 1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccc(C)nc2)OC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
The InChIKey is PZAAPCWSBVZUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c1-9-3-4-11(8-19-9)15-20-21(10(2)22)16(23-15)13-6-5-12(17)7-14(13)18/h3-8,16H,1-2H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone?
1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone has a molecular weight of 350.21 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-5-(6-methyl-3-pyridinyl)-2H-1,3,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 72708548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).