4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid

C13H18N2O5 — CID 66222687

IUPAC4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCc1noc(C(C)C)c1C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C13H18N2O5/c1-6(2)11-10(7(3)15-20-11)12(16)14-9-5-19-4-8(9)13(17)18/h6,8-9H,4-5H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyVKIIBFSEGSEADV-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.94
Rot. Bonds4

About 4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid

4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66222687) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66222687
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCc1noc(C(C)C)c1C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C13H18N2O5/c1-6(2)11-10(7(3)15-20-11)12(16)14-9-5-19-4-8(9)13(17)18/h6,8-9H,4-5H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyVKIIBFSEGSEADV-UHFFFAOYSA-N
XLogP0.94
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)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

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid (CID 66222687) is 4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid is Cc1noc(C(C)C)c1C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is VKIIBFSEGSEADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-6(2)11-10(7(3)15-20-11)12(16)14-9-5-19-4-8(9)13(17)18/h6,8-9H,4-5H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66222687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).