5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole

C14H17N3O — CID 43162406

IUPAC5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESc1ccc(-c2cnc(CN3CCNCC3)o2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)13-10-16-14(18-13)11-17-8-6-15-7-9-17/h1-5,10,15H,6-9,11H2
InChIKeyJDCCWCNNHAYIDF-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.75
Rot. Bonds3

About 5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole

5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole (PubChem CID 43162406) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole
PubChem CID43162406
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESc1ccc(-c2cnc(CN3CCNCC3)o2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)13-10-16-14(18-13)11-17-8-6-15-7-9-17/h1-5,10,15H,6-9,11H2
InChIKeyJDCCWCNNHAYIDF-UHFFFAOYSA-N
XLogP1.75
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole (CID 43162406) is 5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole is c1ccc(-c2cnc(CN3CCNCC3)o2)cc1.
What is the InChIKey of 5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole?
The InChIKey is JDCCWCNNHAYIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-4-12(5-3-1)13-10-16-14(18-13)11-17-8-6-15-7-9-17/h1-5,10,15H,6-9,11H2.
What are the key properties of 5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole?
5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole has a molecular weight of 243.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(piperazin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 43162406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).