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

C10H15N3O3 — CID 23006304

IUPAC5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCN1CCN(Cc2cc(C(=O)O)no2)CC1
InChIInChI=1S/C10H15N3O3/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)
InChIKeyPFKQISBVBFYHPQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.12
Rot. Bonds3

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

5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 23006304) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID23006304
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCN1CCN(Cc2cc(C(=O)O)no2)CC1
InChIInChI=1S/C10H15N3O3/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)
InChIKeyPFKQISBVBFYHPQ-UHFFFAOYSA-N
XLogP0.12
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.12
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?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 23006304) is 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is CN1CCN(Cc2cc(C(=O)O)no2)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is PFKQISBVBFYHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/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).
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.12, 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 is sourced from PubChem (CID 23006304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).