4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole

C14H17N3O — CID 176859206

IUPAC4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole
SMILESCN1CCN(c2cccc(-c3cocn3)c2)CC1
InChIInChI=1S/C14H17N3O/c1-16-5-7-17(8-6-16)13-4-2-3-12(9-13)14-10-18-11-15-14/h2-4,9-11H,5-8H2,1H3
InChIKeyAYQBLPQXEXQCIA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.09
Rot. Bonds2

About 4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole

4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole (PubChem CID 176859206) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole
PubChem CID176859206
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole
SMILESCN1CCN(c2cccc(-c3cocn3)c2)CC1
InChIInChI=1S/C14H17N3O/c1-16-5-7-17(8-6-16)13-4-2-3-12(9-13)14-10-18-11-15-14/h2-4,9-11H,5-8H2,1H3
InChIKeyAYQBLPQXEXQCIA-UHFFFAOYSA-N
XLogP2.09
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
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4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
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1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine
CID 90364267
1-(3-ethenylphenyl)-4-methylpiperazine
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2-(5-methylfuran-2-yl)-6-[3-(4-methylpiperazin-1-yl)phenyl]-7H-purine
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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole?
The IUPAC name of 4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole (CID 176859206) is 4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole?
The canonical SMILES for 4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole is CN1CCN(c2cccc(-c3cocn3)c2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole?
The InChIKey is AYQBLPQXEXQCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-5-7-17(8-6-16)13-4-2-3-12(9-13)14-10-18-11-15-14/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole?
4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole has a molecular weight of 243.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole is sourced from PubChem (CID 176859206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).