3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid

C9H8N2O3 — CID 29078602

IUPAC3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid
SMILESCn1cccc1-c1cc(C(=O)O)on1
InChIInChI=1S/C9H8N2O3/c1-11-4-2-3-7(11)6-5-8(9(12)13)14-10-6/h2-5H,1H3,(H,12,13)
InChIKeyVHYWMOVELVVCAS-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.38
Rot. Bonds2

About 3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid

3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 29078602) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID29078602
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid
SMILESCn1cccc1-c1cc(C(=O)O)on1
InChIInChI=1S/C9H8N2O3/c1-11-4-2-3-7(11)6-5-8(9(12)13)14-10-6/h2-5H,1H3,(H,12,13)
InChIKeyVHYWMOVELVVCAS-UHFFFAOYSA-N
XLogP1.38
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-methylpyrrol-2-yl)-1,2-oxazole-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

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid (CID 29078602) is 3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid is Cn1cccc1-c1cc(C(=O)O)on1.
What is the InChIKey of 3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is VHYWMOVELVVCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-11-4-2-3-7(11)6-5-8(9(12)13)14-10-6/h2-5H,1H3,(H,12,13).
What are the key properties of 3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid?
3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrol-2-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 29078602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).