(3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride

C9H14ClN3O2 — CID 42954057

IUPAC(3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNCC2)on1.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-7-6-8(14-11-7)9(13)12-4-2-10-3-5-12;/h6,10H,2-5H2,1H3;1H
InChIKeyAFWOMKNWWUBRDZ-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.45
Rot. Bonds1

About (3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride

(3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 42954057) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID42954057
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name(3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNCC2)on1.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-7-6-8(14-11-7)9(13)12-4-2-10-3-5-12;/h6,10H,2-5H2,1H3;1H
InChIKeyAFWOMKNWWUBRDZ-UHFFFAOYSA-N
XLogP0.45
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride (CID 42954057) is (3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride is Cc1cc(C(=O)N2CCNCC2)on1.Cl.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is AFWOMKNWWUBRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.ClH/c1-7-6-8(14-11-7)9(13)12-4-2-10-3-5-12;/h6,10H,2-5H2,1H3;1H.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride?
(3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 42954057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).