5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride

C10H16ClN3O3 — CID 75480761

IUPAC5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride
SMILESCN1CCN(Cc2cc(C(=O)O)no2)CC1.Cl
InChIInChI=1S/C10H15N3O3.ClH/c1-12-2-4-13(5-3-12)7-8-6-9(10(14)15)11-16-8;/h6H,2-5,7H2,1H3,(H,14,15);1H
InChIKeySFGSENFJEPKQPK-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.54
Rot. Bonds3

About 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride

5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride (PubChem CID 75480761) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride
PubChem CID75480761
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride
SMILESCN1CCN(Cc2cc(C(=O)O)no2)CC1.Cl
InChIInChI=1S/C10H15N3O3.ClH/c1-12-2-4-13(5-3-12)7-8-6-9(10(14)15)11-16-8;/h6H,2-5,7H2,1H3,(H,14,15);1H
InChIKeySFGSENFJEPKQPK-UHFFFAOYSA-N
XLogP0.54
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride (CID 75480761) is 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride is CN1CCN(Cc2cc(C(=O)O)no2)CC1.Cl.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride?
The InChIKey is SFGSENFJEPKQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3.ClH/c1-12-2-4-13(5-3-12)7-8-6-9(10(14)15)11-16-8;/h6H,2-5,7H2,1H3,(H,14,15);1H.
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride?
5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride has a molecular weight of 261.71 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 75480761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).