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

C23H20FN3O — CID 20944376

IUPACN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylethanamine
SMILESFc1ccc(C(NCCc2ccccc2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H20FN3O/c24-20-13-11-18(12-14-20)21(25-16-15-17-7-3-1-4-8-17)23-27-26-22(28-23)19-9-5-2-6-10-19/h1-14,21,25H,15-16H2
InChIKeyDCWGIYKBVONBTD-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.80
Rot. Bonds7

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

N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylethanamine (PubChem CID 20944376) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylethanamine
PubChem CID20944376
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylethanamine
SMILESFc1ccc(C(NCCc2ccccc2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H20FN3O/c24-20-13-11-18(12-14-20)21(25-16-15-17-7-3-1-4-8-17)23-27-26-22(28-23)19-9-5-2-6-10-19/h1-14,21,25H,15-16H2
InChIKeyDCWGIYKBVONBTD-UHFFFAOYSA-N
XLogP4.80
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.80
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]-2-phenylethanamine?
The IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylethanamine (CID 20944376) is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylethanamine is Fc1ccc(C(NCCc2ccccc2)c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylethanamine?
The InChIKey is DCWGIYKBVONBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-20-13-11-18(12-14-20)21(25-16-15-17-7-3-1-4-8-17)23-27-26-22(28-23)19-9-5-2-6-10-19/h1-14,21,25H,15-16H2.
What are the key properties of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylethanamine?
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylethanamine has a molecular weight of 373.43 g/mol, XLogP of 4.80, 7 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]-2-phenylethanamine is sourced from PubChem (CID 20944376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).