2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole

C19H21N5O — CID 53133983

IUPAC2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole
SMILESCCN1CCN(c2ncccc2-c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H21N5O/c1-2-23-11-13-24(14-12-23)17-16(9-6-10-20-17)19-22-21-18(25-19)15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3
InChIKeySSHCWKXRKFJSIE-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.94
Rot. Bonds4

About 2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole

2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 53133983) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID53133983
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole
SMILESCCN1CCN(c2ncccc2-c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H21N5O/c1-2-23-11-13-24(14-12-23)17-16(9-6-10-20-17)19-22-21-18(25-19)15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3
InChIKeySSHCWKXRKFJSIE-UHFFFAOYSA-N
XLogP2.94
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole (CID 53133983) is 2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole is CCN1CCN(c2ncccc2-c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is SSHCWKXRKFJSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-23-11-13-24(14-12-23)17-16(9-6-10-20-17)19-22-21-18(25-19)15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3.
What are the key properties of 2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole?
2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 335.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylpiperazin-1-yl)-3-pyridinyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 53133983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).