5-(2-benzylpiperazin-1-yl)-1,2-oxazole

C14H17N3O — CID 59674908

IUPAC5-(2-benzylpiperazin-1-yl)-1,2-oxazole
SMILESc1ccc(CC2CNCCN2c2ccno2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)10-13-11-15-8-9-17(13)14-6-7-16-18-14/h1-7,13,15H,8-11H2
InChIKeyLDLQYEYCRBSSFG-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.70
Rot. Bonds3

About 5-(2-benzylpiperazin-1-yl)-1,2-oxazole

5-(2-benzylpiperazin-1-yl)-1,2-oxazole (PubChem CID 59674908) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-(2-benzylpiperazin-1-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2-benzylpiperazin-1-yl)-1,2-oxazole
PubChem CID59674908
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-(2-benzylpiperazin-1-yl)-1,2-oxazole
SMILESc1ccc(CC2CNCCN2c2ccno2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-12(5-3-1)10-13-11-15-8-9-17(13)14-6-7-16-18-14/h1-7,13,15H,8-11H2
InChIKeyLDLQYEYCRBSSFG-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylpiperazin-1-yl)-1,2-oxazole?
The IUPAC name of 5-(2-benzylpiperazin-1-yl)-1,2-oxazole (CID 59674908) is 5-(2-benzylpiperazin-1-yl)-1,2-oxazole.
What is the SMILES notation for 5-(2-benzylpiperazin-1-yl)-1,2-oxazole?
The canonical SMILES for 5-(2-benzylpiperazin-1-yl)-1,2-oxazole is c1ccc(CC2CNCCN2c2ccno2)cc1.
What is the InChIKey of 5-(2-benzylpiperazin-1-yl)-1,2-oxazole?
The InChIKey is LDLQYEYCRBSSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-4-12(5-3-1)10-13-11-15-8-9-17(13)14-6-7-16-18-14/h1-7,13,15H,8-11H2.
What are the key properties of 5-(2-benzylpiperazin-1-yl)-1,2-oxazole?
5-(2-benzylpiperazin-1-yl)-1,2-oxazole has a molecular weight of 243.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzylpiperazin-1-yl)-1,2-oxazole is sourced from PubChem (CID 59674908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).