(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride

C9H14ClN3O2 — CID 130978963

IUPAC(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1ocnc1C(=O)N1CCNCC1.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-7-8(11-6-14-7)9(13)12-4-2-10-3-5-12;/h6,10H,2-5H2,1H3;1H
InChIKeyHVBOVOIVUZOAHL-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.45
Rot. Bonds1

About (5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride

(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 130978963) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is (5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID130978963
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1ocnc1C(=O)N1CCNCC1.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-7-8(11-6-14-7)9(13)12-4-2-10-3-5-12;/h6,10H,2-5H2,1H3;1H
InChIKeyHVBOVOIVUZOAHL-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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Related Compounds

1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119416395
piperazin-1-yl-(5-propyl-1,3-oxazol-4-yl)methanone
CID 82509550
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone
CID 119416396
(2-methylpyrimidin-5-yl)-piperazin-1-ylmethanone
CID 82507134
(5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone
CID 83904063
1,4-diazepan-1-yl-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119415283
(5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone
CID 118779921
5-methyl-4-piperazin-1-yl-1,3-oxazole
CID 96737858
1,3-oxazol-2-yl(piperazin-1-yl)methanone
CID 83617555
3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154747405
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 131160128

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride (CID 130978963) is (5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride is Cc1ocnc1C(=O)N1CCNCC1.Cl.
What is the InChIKey of (5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is HVBOVOIVUZOAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.ClH/c1-7-8(11-6-14-7)9(13)12-4-2-10-3-5-12;/h6,10H,2-5H2,1H3;1H.
What are the key properties of (5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride?
(5-methyl-1,3-oxazol-4-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 (5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 130978963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).