1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone

C23H19N3O2 — CID 15990135

IUPAC1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone
SMILESCC(=O)c1cccc(NCc2ccccc2-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C23H19N3O2/c1-16(27)18-11-7-12-20(14-18)24-15-19-10-5-6-13-21(19)23-26-25-22(28-23)17-8-3-2-4-9-17/h2-14,24H,15H2,1H3
InChIKeyNFHAKTJGDCOWFW-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.22
Rot. Bonds6

About 1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone

1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone (PubChem CID 15990135) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone
PubChem CID15990135
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone
SMILESCC(=O)c1cccc(NCc2ccccc2-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C23H19N3O2/c1-16(27)18-11-7-12-20(14-18)24-15-19-10-5-6-13-21(19)23-26-25-22(28-23)17-8-3-2-4-9-17/h2-14,24H,15H2,1H3
InChIKeyNFHAKTJGDCOWFW-UHFFFAOYSA-N
XLogP5.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone?
The IUPAC name of 1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone (CID 15990135) is 1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone is CC(=O)c1cccc(NCc2ccccc2-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone?
The InChIKey is NFHAKTJGDCOWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-16(27)18-11-7-12-20(14-18)24-15-19-10-5-6-13-21(19)23-26-25-22(28-23)17-8-3-2-4-9-17/h2-14,24H,15H2,1H3.
What are the key properties of 1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone?
1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone has a molecular weight of 369.42 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methylamino]phenyl]ethanone is sourced from PubChem (CID 15990135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).