4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline

C17H17N3O2 — CID 743142

IUPAC4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2nnc(-c3ccc(N(C)C)cc3)o2)cc1
InChIInChI=1S/C17H17N3O2/c1-20(2)14-8-4-12(5-9-14)16-18-19-17(22-16)13-6-10-15(21-3)11-7-13/h4-11H,1-3H3
InChIKeyZBCNYCOMBDHZAQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.48
Rot. Bonds4

About 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline

4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline (PubChem CID 743142) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
PubChem CID743142
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
SMILESCOc1ccc(-c2nnc(-c3ccc(N(C)C)cc3)o2)cc1
InChIInChI=1S/C17H17N3O2/c1-20(2)14-8-4-12(5-9-14)16-18-19-17(22-16)13-6-10-15(21-3)11-7-13/h4-11H,1-3H3
InChIKeyZBCNYCOMBDHZAQ-UHFFFAOYSA-N
XLogP3.48
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline (CID 743142) is 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline is COc1ccc(-c2nnc(-c3ccc(N(C)C)cc3)o2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
The InChIKey is ZBCNYCOMBDHZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(2)14-8-4-12(5-9-14)16-18-19-17(22-16)13-6-10-15(21-3)11-7-13/h4-11H,1-3H3.
What are the key properties of 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline has a molecular weight of 295.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 743142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).