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

C16H14FN3O — CID 865618

IUPAC4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C16H14FN3O/c1-20(2)12-9-7-11(8-10-12)15-18-19-16(21-15)13-5-3-4-6-14(13)17/h3-10H,1-2H3
InChIKeyNYOUUGABBOANHV-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.61
Rot. Bonds3

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

4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline (PubChem CID 865618) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
PubChem CID865618
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnc(-c3ccccc3F)o2)cc1
InChIInChI=1S/C16H14FN3O/c1-20(2)12-9-7-11(8-10-12)15-18-19-16(21-15)13-5-3-4-6-14(13)17/h3-10H,1-2H3
InChIKeyNYOUUGABBOANHV-UHFFFAOYSA-N
XLogP3.61
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline (CID 865618) is 4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nnc(-c3ccccc3F)o2)cc1.
What is the InChIKey of 4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
The InChIKey is NYOUUGABBOANHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-20(2)12-9-7-11(8-10-12)15-18-19-16(21-15)13-5-3-4-6-14(13)17/h3-10H,1-2H3.
What are the key properties of 4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline has a molecular weight of 283.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 865618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).