4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole

C14H17N3O — CID 82478157

IUPAC4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole
SMILESCc1coc(-c2ccc(N3CCNCC3)cc2)n1
InChIInChI=1S/C14H17N3O/c1-11-10-18-14(16-11)12-2-4-13(5-3-12)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3
InChIKeyFEGKNKLMXIIFJO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.06
Rot. Bonds2

About 4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole

4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole (PubChem CID 82478157) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole
PubChem CID82478157
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole
SMILESCc1coc(-c2ccc(N3CCNCC3)cc2)n1
InChIInChI=1S/C14H17N3O/c1-11-10-18-14(16-11)12-2-4-13(5-3-12)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3
InChIKeyFEGKNKLMXIIFJO-UHFFFAOYSA-N
XLogP2.06
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

2,4,6-tris(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 146566089
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 82487984
1-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]piperazine
CID 82483118
2,4-dimethyl-6-(4-piperazin-1-ylphenyl)pyrimidine
CID 82487680
4-methyl-2-[4-(piperidin-4-ylmethyl)phenyl]-1,3-oxazole
CID 117394498
5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 69036653
2-[4-(1,4-diazepan-1-yl)phenyl]-5-methyl-1,3-oxazole
CID 82483111
2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
CID 170665199
2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
CID 58985190
4-methyl-6-(4-piperazin-1-ylphenyl)pyrimidine
CID 82482056
4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-oxazole
CID 96618046
1-bromo-4-methylbenzene;1-(4-methylphenyl)piperazine
CID 161139081

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole?
The IUPAC name of 4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole (CID 82478157) is 4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole?
The canonical SMILES for 4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole is Cc1coc(-c2ccc(N3CCNCC3)cc2)n1.
What is the InChIKey of 4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole?
The InChIKey is FEGKNKLMXIIFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-10-18-14(16-11)12-2-4-13(5-3-12)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole?
4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole has a molecular weight of 243.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-piperazin-1-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 82478157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).