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

C16H14FN3O — CID 4797349

IUPACN-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylaniline
SMILESCN(Cc1nnc(-c2ccc(F)cc2)o1)c1ccccc1
InChIInChI=1S/C16H14FN3O/c1-20(14-5-3-2-4-6-14)11-15-18-19-16(21-15)12-7-9-13(17)10-8-12/h2-10H,11H2,1H3
InChIKeyUMIVZMIMGFSZDD-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.51
Rot. Bonds4

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

N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylaniline (PubChem CID 4797349) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylaniline
PubChem CID4797349
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylaniline
SMILESCN(Cc1nnc(-c2ccc(F)cc2)o1)c1ccccc1
InChIInChI=1S/C16H14FN3O/c1-20(14-5-3-2-4-6-14)11-15-18-19-16(21-15)12-7-9-13(17)10-8-12/h2-10H,11H2,1H3
InChIKeyUMIVZMIMGFSZDD-UHFFFAOYSA-N
XLogP3.51
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 4912772
4-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 46227020
N,N-dimethyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 671915
Piperazine, 1-phenyl-4-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-
CID 3080234
Benzenamine, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis[N,N-diethyl-
CID 74301
4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 865618
1-Benzyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 3959338
2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 4665154
2-methoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 4912771
2-[[3-Methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 15990242
N,N-Diethyl-2-{4-[2-fluoro-4-(5-isopropyl-[1,3,4]oxadiazol-2-yl)-phenyl]-piperazin-1-yl}-2-phenyl-acetamide
CID 42647272
1-(4-Methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 2147287

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylaniline?
The IUPAC name of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylaniline (CID 4797349) is N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylaniline.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylaniline?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylaniline is CN(Cc1nnc(-c2ccc(F)cc2)o1)c1ccccc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylaniline?
The InChIKey is UMIVZMIMGFSZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-20(14-5-3-2-4-6-14)11-15-18-19-16(21-15)12-7-9-13(17)10-8-12/h2-10H,11H2,1H3.
What are the key properties of N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylaniline?
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylaniline has a molecular weight of 283.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylaniline is sourced from PubChem (CID 4797349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).