3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole

C24H27N3O — CID 10270713

IUPAC3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
SMILESC(=C/c1cc(CCCN2CCN(c3ccccc3)CC2)on1)\c1ccccc1
InChIInChI=1S/C24H27N3O/c1-3-8-21(9-4-1)13-14-22-20-24(28-25-22)12-7-15-26-16-18-27(19-17-26)23-10-5-2-6-11-23/h1-6,8-11,13-14,20H,7,12,15-19H2/b14-13+
InChIKeyPVKHTVJKBLQQGX-BUHFOSPRSA-N
MW373.50 g/mol
LogP4.60
Rot. Bonds7

About 3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole

3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole (PubChem CID 10270713) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
PubChem CID10270713
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
SMILESC(=C/c1cc(CCCN2CCN(c3ccccc3)CC2)on1)\c1ccccc1
InChIInChI=1S/C24H27N3O/c1-3-8-21(9-4-1)13-14-22-20-24(28-25-22)12-7-15-26-16-18-27(19-17-26)23-10-5-2-6-11-23/h1-6,8-11,13-14,20H,7,12,15-19H2/b14-13+
InChIKeyPVKHTVJKBLQQGX-BUHFOSPRSA-N
XLogP4.60
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-phenylpiperazin-1-yl)butyl]-3-thiophen-2-yl-1,2-oxazole
CID 22727358
ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
CID 177319242
5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole
CID 142390486
5-[2-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2-oxazole
CID 142647972
4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine
CID 11001412
3-[3-(4-phenylpiperazin-1-yl)propylamino]benzaldehyde
CID 90656691
5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
CID 142389997
(E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide
CID 34105825
1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine
CID 57083687
N-methyl-1-[5-[(4-phenylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62424365
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole
CID 10133646
3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
CID 142385764

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole?
The IUPAC name of 3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole (CID 10270713) is 3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole is C(=C/c1cc(CCCN2CCN(c3ccccc3)CC2)on1)\c1ccccc1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole?
The InChIKey is PVKHTVJKBLQQGX-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H27N3O/c1-3-8-21(9-4-1)13-14-22-20-24(28-25-22)12-7-15-26-16-18-27(19-17-26)23-10-5-2-6-11-23/h1-6,8-11,13-14,20H,7,12,15-19H2/b14-13+.
What are the key properties of 3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole?
3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole has a molecular weight of 373.50 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole is sourced from PubChem (CID 10270713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).