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

C21H16FN3O — CID 22433213

IUPACN-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline
SMILESFc1ccccc1-c1nnc(C(Nc2ccccc2)c2ccccc2)o1
InChIInChI=1S/C21H16FN3O/c22-18-14-8-7-13-17(18)20-24-25-21(26-20)19(15-9-3-1-4-10-15)23-16-11-5-2-6-12-16/h1-14,19,23H
InChIKeyOJHLBIPVVWEMTK-UHFFFAOYSA-N
MW345.38 g/mol
LogP5.08
Rot. Bonds5

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

N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline (PubChem CID 22433213) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline
PubChem CID22433213
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC NameN-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline
SMILESFc1ccccc1-c1nnc(C(Nc2ccccc2)c2ccccc2)o1
InChIInChI=1S/C21H16FN3O/c22-18-14-8-7-13-17(18)20-24-25-21(26-20)19(15-9-3-1-4-10-15)23-16-11-5-2-6-12-16/h1-14,19,23H
InChIKeyOJHLBIPVVWEMTK-UHFFFAOYSA-N
XLogP5.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline?
The IUPAC name of N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline (CID 22433213) is N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline.
What is the SMILES notation for N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline?
The canonical SMILES for N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline is Fc1ccccc1-c1nnc(C(Nc2ccccc2)c2ccccc2)o1.
What is the InChIKey of N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline?
The InChIKey is OJHLBIPVVWEMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-18-14-8-7-13-17(18)20-24-25-21(26-20)19(15-9-3-1-4-10-15)23-16-11-5-2-6-12-16/h1-14,19,23H.
What are the key properties of N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline?
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline has a molecular weight of 345.38 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]aniline is sourced from PubChem (CID 22433213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).