5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole

C20H21N3O — CID 8688253

IUPAC5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESc1ccc(-c2cnc(CN3CCN(c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C20H21N3O/c1-3-7-17(8-4-1)19-15-21-20(24-19)16-22-11-13-23(14-12-22)18-9-5-2-6-10-18/h1-10,15H,11-14,16H2
InChIKeyVTOQRROVVPDIIF-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.66
Rot. Bonds4

About 5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole

5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 8688253) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID8688253
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESc1ccc(-c2cnc(CN3CCN(c4ccccc4)CC3)o2)cc1
InChIInChI=1S/C20H21N3O/c1-3-7-17(8-4-1)19-15-21-20(24-19)16-22-11-13-23(14-12-22)18-9-5-2-6-10-18/h1-10,15H,11-14,16H2
InChIKeyVTOQRROVVPDIIF-UHFFFAOYSA-N
XLogP3.66
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole (CID 8688253) is 5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole is c1ccc(-c2cnc(CN3CCN(c4ccccc4)CC3)o2)cc1.
What is the InChIKey of 5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is VTOQRROVVPDIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-7-17(8-4-1)19-15-21-20(24-19)16-22-11-13-23(14-12-22)18-9-5-2-6-10-18/h1-10,15H,11-14,16H2.
What are the key properties of 5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole?
5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 319.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 8688253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).