5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole

C8H12ClN3O — CID 117260214

IUPAC5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole
SMILESCN1CCN(c2ncc(Cl)o2)CC1
InChIInChI=1S/C8H12ClN3O/c1-11-2-4-12(5-3-11)8-10-6-7(9)13-8/h6H,2-5H2,1H3
InChIKeyBJQIUZDRDGKIQD-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.08
Rot. Bonds1

About 5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole

5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole (PubChem CID 117260214) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole
PubChem CID117260214
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole
SMILESCN1CCN(c2ncc(Cl)o2)CC1
InChIInChI=1S/C8H12ClN3O/c1-11-2-4-12(5-3-11)8-10-6-7(9)13-8/h6H,2-5H2,1H3
InChIKeyBJQIUZDRDGKIQD-UHFFFAOYSA-N
XLogP1.08
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole?
The IUPAC name of 5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole (CID 117260214) is 5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole.
What is the SMILES notation for 5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole?
The canonical SMILES for 5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole is CN1CCN(c2ncc(Cl)o2)CC1.
What is the InChIKey of 5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole?
The InChIKey is BJQIUZDRDGKIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-11-2-4-12(5-3-11)8-10-6-7(9)13-8/h6H,2-5H2,1H3.
What are the key properties of 5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole?
5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole has a molecular weight of 201.66 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methylpiperazin-1-yl)-1,3-oxazole is sourced from PubChem (CID 117260214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).