5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid

C12H10N2O5 — CID 62235042

IUPAC5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid
SMILESCc1cccc([N+](=O)[O-])c1-c1nc(C(=O)O)c(C)o1
InChIInChI=1S/C12H10N2O5/c1-6-4-3-5-8(14(17)18)9(6)11-13-10(12(15)16)7(2)19-11/h3-5H,1-2H3,(H,15,16)
InChIKeyRTXJIUUXBGYQQA-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.56
Rot. Bonds3

About 5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid

5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 62235042) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID62235042
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid
SMILESCc1cccc([N+](=O)[O-])c1-c1nc(C(=O)O)c(C)o1
InChIInChI=1S/C12H10N2O5/c1-6-4-3-5-8(14(17)18)9(6)11-13-10(12(15)16)7(2)19-11/h3-5H,1-2H3,(H,15,16)
InChIKeyRTXJIUUXBGYQQA-UHFFFAOYSA-N
XLogP2.56
TPSA106.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-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 5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid (CID 62235042) is 5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid is Cc1cccc([N+](=O)[O-])c1-c1nc(C(=O)O)c(C)o1.
What is the InChIKey of 5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is RTXJIUUXBGYQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-6-4-3-5-8(14(17)18)9(6)11-13-10(12(15)16)7(2)19-11/h3-5H,1-2H3,(H,15,16).
What are the key properties of 5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid?
5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 262.22 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methyl-6-nitrophenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62235042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).