2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole

C23H27N3O — CID 22762559

IUPAC2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole
SMILESCc1ccc(N2CCN(C(C)Cc3ncc(-c4ccccc4)o3)CC2)cc1
InChIInChI=1S/C23H27N3O/c1-18-8-10-21(11-9-18)26-14-12-25(13-15-26)19(2)16-23-24-17-22(27-23)20-6-4-3-5-7-20/h3-11,17,19H,12-16H2,1-2H3
InChIKeyHVGIFIZRMBDRMH-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.40
Rot. Bonds5

About 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole

2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole (PubChem CID 22762559) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole
PubChem CID22762559
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole
SMILESCc1ccc(N2CCN(C(C)Cc3ncc(-c4ccccc4)o3)CC2)cc1
InChIInChI=1S/C23H27N3O/c1-18-8-10-21(11-9-18)26-14-12-25(13-15-26)19(2)16-23-24-17-22(27-23)20-6-4-3-5-7-20/h3-11,17,19H,12-16H2,1-2H3
InChIKeyHVGIFIZRMBDRMH-UHFFFAOYSA-N
XLogP4.40
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole (CID 22762559) is 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole is Cc1ccc(N2CCN(C(C)Cc3ncc(-c4ccccc4)o3)CC2)cc1.
What is the InChIKey of 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole?
The InChIKey is HVGIFIZRMBDRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18-8-10-21(11-9-18)26-14-12-25(13-15-26)19(2)16-23-24-17-22(27-23)20-6-4-3-5-7-20/h3-11,17,19H,12-16H2,1-2H3.
What are the key properties of 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole?
2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole has a molecular weight of 361.49 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methylphenyl)piperazin-1-yl]propyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 22762559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).