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

C18H25N3O2 — CID 142389997

IUPAC5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
SMILESCc1cc(CCOCCN2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C18H25N3O2/c1-16-15-17(19-23-16)7-13-22-14-12-20-8-10-21(11-9-20)18-5-3-2-4-6-18/h2-6,15H,7-14H2,1H3
InChIKeyOYVVSQCWRXBYST-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.36
Rot. Bonds7

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

5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole (PubChem CID 142389997) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
PubChem CID142389997
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
SMILESCc1cc(CCOCCN2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C18H25N3O2/c1-16-15-17(19-23-16)7-13-22-14-12-20-8-10-21(11-9-20)18-5-3-2-4-6-18/h2-6,15H,7-14H2,1H3
InChIKeyOYVVSQCWRXBYST-UHFFFAOYSA-N
XLogP2.36
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole (CID 142389997) is 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole is Cc1cc(CCOCCN2CCN(c3ccccc3)CC2)no1.
What is the InChIKey of 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole?
The InChIKey is OYVVSQCWRXBYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-16-15-17(19-23-16)7-13-22-14-12-20-8-10-21(11-9-20)18-5-3-2-4-6-18/h2-6,15H,7-14H2,1H3.
What are the key properties of 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole?
5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole has a molecular weight of 315.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole is sourced from PubChem (CID 142389997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).