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

C21H16FN3O — CID 22433065

IUPACN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESFc1ccc(C(Nc2ccccc2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H16FN3O/c22-17-13-11-15(12-14-17)19(23-18-9-5-2-6-10-18)21-25-24-20(26-21)16-7-3-1-4-8-16/h1-14,19,23H
InChIKeyPNUSKHUGWXJSBM-UHFFFAOYSA-N
MW345.38 g/mol
LogP5.08
Rot. Bonds5

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

N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline (PubChem CID 22433065) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
PubChem CID22433065
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESFc1ccc(C(Nc2ccccc2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H16FN3O/c22-17-13-11-15(12-14-17)19(23-18-9-5-2-6-10-18)21-25-24-20(26-21)16-7-3-1-4-8-16/h1-14,19,23H
InChIKeyPNUSKHUGWXJSBM-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-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline (CID 22433065) is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline.
What is the SMILES notation for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The canonical SMILES for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline is Fc1ccc(C(Nc2ccccc2)c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The InChIKey is PNUSKHUGWXJSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-17-13-11-15(12-14-17)19(23-18-9-5-2-6-10-18)21-25-24-20(26-21)16-7-3-1-4-8-16/h1-14,19,23H.
What are the key properties of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]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-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 22433065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).