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

C18H17N3O2 — CID 16854851

IUPAC2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C18H17N3O2/c1-12-6-8-14(9-7-12)11-16(22)19-18-21-20-17(23-18)15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3,(H,19,21,22)
InChIKeyFEJDKWLCLIMOQE-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.53
Rot. Bonds4

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

2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 16854851) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID16854851
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(-c3cccc(C)c3)o2)cc1
InChIInChI=1S/C18H17N3O2/c1-12-6-8-14(9-7-12)11-16(22)19-18-21-20-17(23-18)15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3,(H,19,21,22)
InChIKeyFEJDKWLCLIMOQE-UHFFFAOYSA-N
XLogP3.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41228861
2-(4-methoxy-3-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854865
2-(4-methylphenyl)-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41227799
2-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 16854752
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16854678
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 16854449
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 16854452
2-(4-fluorophenyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977726
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 16854750
2-phenyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4094091
5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16854864
N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 43977845

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 16854851) is 2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccc(CC(=O)Nc2nnc(-c3cccc(C)c3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is FEJDKWLCLIMOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-6-8-14(9-7-12)11-16(22)19-18-21-20-17(23-18)15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 16854851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).