5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole

C14H17N3O2 — CID 117209973

IUPAC5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole
SMILESCOc1ccc(-c2oncc2N2CCNCC2)cc1
InChIInChI=1S/C14H17N3O2/c1-18-12-4-2-11(3-5-12)14-13(10-16-19-14)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3
InChIKeyGQOFGODIDLWIIS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.76
Rot. Bonds3

About 5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole

5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole (PubChem CID 117209973) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole
PubChem CID117209973
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole
SMILESCOc1ccc(-c2oncc2N2CCNCC2)cc1
InChIInChI=1S/C14H17N3O2/c1-18-12-4-2-11(3-5-12)14-13(10-16-19-14)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3
InChIKeyGQOFGODIDLWIIS-UHFFFAOYSA-N
XLogP1.76
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole?
The IUPAC name of 5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole (CID 117209973) is 5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole?
The canonical SMILES for 5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole is COc1ccc(-c2oncc2N2CCNCC2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole?
The InChIKey is GQOFGODIDLWIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-12-4-2-11(3-5-12)14-13(10-16-19-14)17-8-6-15-7-9-17/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole?
5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole has a molecular weight of 259.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole is sourced from PubChem (CID 117209973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).