3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole

C9H15N3O — CID 82601044

IUPAC3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole
SMILESCc1noc(C)c1N1CCNCC1
InChIInChI=1S/C9H15N3O/c1-7-9(8(2)13-11-7)12-5-3-10-4-6-12/h10H,3-6H2,1-2H3
InChIKeyRXVCQTAVIWNKPW-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.70
Rot. Bonds1

About 3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole

3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole (PubChem CID 82601044) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole
PubChem CID82601044
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole
SMILESCc1noc(C)c1N1CCNCC1
InChIInChI=1S/C9H15N3O/c1-7-9(8(2)13-11-7)12-5-3-10-4-6-12/h10H,3-6H2,1-2H3
InChIKeyRXVCQTAVIWNKPW-UHFFFAOYSA-N
XLogP0.70
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole (CID 82601044) is 3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole is Cc1noc(C)c1N1CCNCC1.
What is the InChIKey of 3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole?
The InChIKey is RXVCQTAVIWNKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-9(8(2)13-11-7)12-5-3-10-4-6-12/h10H,3-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole?
3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole has a molecular weight of 181.24 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-piperazin-1-yl-1,2-oxazole is sourced from PubChem (CID 82601044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).