3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline

C18H19N5O — CID 28720299

IUPAC3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline
SMILESNc1cccc(-c2nnc(N3CCN(c4ccccc4)CC3)o2)c1
InChIInChI=1S/C18H19N5O/c19-15-6-4-5-14(13-15)17-20-21-18(24-17)23-11-9-22(10-12-23)16-7-2-1-3-8-16/h1-8,13H,9-12,19H2
InChIKeyNIUXDHNHDXMVHK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.65
Rot. Bonds3

About 3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline

3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 28720299) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound Name3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline
PubChem CID28720299
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline
SMILESNc1cccc(-c2nnc(N3CCN(c4ccccc4)CC3)o2)c1
InChIInChI=1S/C18H19N5O/c19-15-6-4-5-14(13-15)17-20-21-18(24-17)23-11-9-22(10-12-23)16-7-2-1-3-8-16/h1-8,13H,9-12,19H2
InChIKeyNIUXDHNHDXMVHK-UHFFFAOYSA-N
XLogP2.65
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of 3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline (CID 28720299) is 3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for 3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for 3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline is Nc1cccc(-c2nnc(N3CCN(c4ccccc4)CC3)o2)c1.
What is the InChIKey of 3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is NIUXDHNHDXMVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c19-15-6-4-5-14(13-15)17-20-21-18(24-17)23-11-9-22(10-12-23)16-7-2-1-3-8-16/h1-8,13H,9-12,19H2.
What are the key properties of 3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline?
3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline has a molecular weight of 321.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-phenylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 28720299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).