4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid

C15H19N3O3 — CID 66237404

IUPAC4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
SMILESCN(Cc1nn(C)c2ccccc12)C1COCC1C(=O)O
InChIInChI=1S/C15H19N3O3/c1-17(14-9-21-8-11(14)15(19)20)7-12-10-5-3-4-6-13(10)18(2)16-12/h3-6,11,14H,7-9H2,1-2H3,(H,19,20)
InChIKeyIUTSOPYHOAHNBA-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.10
Rot. Bonds4

About 4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid

4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid (PubChem CID 66237404) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
PubChem CID66237404
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
SMILESCN(Cc1nn(C)c2ccccc12)C1COCC1C(=O)O
InChIInChI=1S/C15H19N3O3/c1-17(14-9-21-8-11(14)15(19)20)7-12-10-5-3-4-6-13(10)18(2)16-12/h3-6,11,14H,7-9H2,1-2H3,(H,19,20)
InChIKeyIUTSOPYHOAHNBA-UHFFFAOYSA-N
XLogP1.10
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-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-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 79595785
1-[4-(methylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone
CID 116561419
4-[(2-bromophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237808
1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone
CID 116588070
4-[(2,3-dimethylphenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66266113
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]acetic acid
CID 122107123
4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid
CID 66235767
4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid
CID 66235785
4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid
CID 112641436
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66235796
4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66246701
4-[(5-ethylthiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237650

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid (CID 66237404) is 4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid is CN(Cc1nn(C)c2ccccc12)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
The InChIKey is IUTSOPYHOAHNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17(14-9-21-8-11(14)15(19)20)7-12-10-5-3-4-6-13(10)18(2)16-12/h3-6,11,14H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66237404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).