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

C23H20FN3O2 — CID 20944408

IUPAC1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCOc1ccccc1CNC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H20FN3O2/c1-28-20-10-6-5-9-18(20)15-25-21(16-11-13-19(24)14-12-16)23-27-26-22(29-23)17-7-3-2-4-8-17/h2-14,21,25H,15H2,1H3
InChIKeyZKTPLUSFWGBPTF-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.76
Rot. Bonds7

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

1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 20944408) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID20944408
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCOc1ccccc1CNC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H20FN3O2/c1-28-20-10-6-5-9-18(20)15-25-21(16-11-13-19(24)14-12-16)23-27-26-22(29-23)17-7-3-2-4-8-17/h2-14,21,25H,15H2,1H3
InChIKeyZKTPLUSFWGBPTF-UHFFFAOYSA-N
XLogP4.76
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine (CID 20944408) is 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine is COc1ccccc1CNC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is ZKTPLUSFWGBPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-28-20-10-6-5-9-18(20)15-25-21(16-11-13-19(24)14-12-16)23-27-26-22(29-23)17-7-3-2-4-8-17/h2-14,21,25H,15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 389.43 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 20944408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).