4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

C13H16N4O3 — CID 70010744

IUPAC4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCC1CN(c2c(C(=O)O)cnc3oncc23)CCN1C
InChIInChI=1S/C13H16N4O3/c1-8-7-17(4-3-16(8)2)11-9-6-15-20-12(9)14-5-10(11)13(18)19/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyQNNXPZNSSKGBGQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.06
Rot. Bonds2

About 4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 70010744) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID70010744
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCC1CN(c2c(C(=O)O)cnc3oncc23)CCN1C
InChIInChI=1S/C13H16N4O3/c1-8-7-17(4-3-16(8)2)11-9-6-15-20-12(9)14-5-10(11)13(18)19/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyQNNXPZNSSKGBGQ-UHFFFAOYSA-N
XLogP1.06
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 82410239
4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 114678908
5-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 55216040
[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 66692211
4-(3,4-dimethylpiperazin-1-yl)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052987
4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 61340983
2-(3,4-dimethylpiperazin-1-yl)pyrimidin-5-amine
CID 63609084
5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
CID 114267526
5-(3,4-dimethylpiperazin-1-yl)-6-fluoro-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxylic acid;hydrochloride
CID 67754534
2-(3,4-dimethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carboxylic acid
CID 55216937
N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 63621276
[2-(3,4-dimethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83184289

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (CID 70010744) is 4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is CC1CN(c2c(C(=O)O)cnc3oncc23)CCN1C.
What is the InChIKey of 4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is QNNXPZNSSKGBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8-7-17(4-3-16(8)2)11-9-6-15-20-12(9)14-5-10(11)13(18)19/h5-6,8H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid?
4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 276.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 70010744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).