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

C8H13N3O — CID 4914503

IUPAC3-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESc1cc(CN2CCNCC2)no1
InChIInChI=1S/C8H13N3O/c1-6-12-10-8(1)7-11-4-2-9-3-5-11/h1,6,9H,2-5,7H2
InChIKeyVJMTXOUUYNPWLF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.08
Rot. Bonds2

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

3-(piperazin-1-ylmethyl)-1,2-oxazole (PubChem CID 4914503) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-1,2-oxazole
PubChem CID4914503
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(piperazin-1-ylmethyl)-1,2-oxazole
SMILESc1cc(CN2CCNCC2)no1
InChIInChI=1S/C8H13N3O/c1-6-12-10-8(1)7-11-4-2-9-3-5-11/h1,6,9H,2-5,7H2
InChIKeyVJMTXOUUYNPWLF-UHFFFAOYSA-N
XLogP0.08
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 3-(piperazin-1-ylmethyl)-1,2-oxazole (CID 4914503) is 3-(piperazin-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-1,2-oxazole is c1cc(CN2CCNCC2)no1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-1,2-oxazole?
The InChIKey is VJMTXOUUYNPWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-12-10-8(1)7-11-4-2-9-3-5-11/h1,6,9H,2-5,7H2.
What are the key properties of 3-(piperazin-1-ylmethyl)-1,2-oxazole?
3-(piperazin-1-ylmethyl)-1,2-oxazole has a molecular weight of 167.21 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 4914503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).