5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid

C10H17NO3 — CID 102725022

IUPAC5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid
SMILESCCC(CC)C1=NOC(C)(C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-4-7(5-2)8-6-10(3,9(12)13)14-11-8/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyMEGJGIQZYFLCAI-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.04
Rot. Bonds4

About 5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid

5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid (PubChem CID 102725022) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid
PubChem CID102725022
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid
SMILESCCC(CC)C1=NOC(C)(C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-4-7(5-2)8-6-10(3,9(12)13)14-11-8/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyMEGJGIQZYFLCAI-UHFFFAOYSA-N
XLogP2.04
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-3-pentan-3-yl-4H-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 5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid (CID 102725022) is 5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid is CCC(CC)C1=NOC(C)(C(=O)O)C1.
What is the InChIKey of 5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid?
The InChIKey is MEGJGIQZYFLCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-7(5-2)8-6-10(3,9(12)13)14-11-8/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid?
5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pentan-3-yl-4H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 102725022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).