4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid

C12H16N2O6 — CID 66254719

IUPAC4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCOCc1cc(C(=O)NC2COCC2(C)C(=O)O)no1
InChIInChI=1S/C12H16N2O6/c1-12(11(16)17)6-19-5-9(12)13-10(15)8-3-7(4-18-2)20-14-8/h3,9H,4-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCBTMOGFMWLBRFD-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.04
Rot. Bonds5

About 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid

4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66254719) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66254719
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCOCc1cc(C(=O)NC2COCC2(C)C(=O)O)no1
InChIInChI=1S/C12H16N2O6/c1-12(11(16)17)6-19-5-9(12)13-10(15)8-3-7(4-18-2)20-14-8/h3,9H,4-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCBTMOGFMWLBRFD-UHFFFAOYSA-N
XLogP0.04
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-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-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid (CID 66254719) is 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid is COCc1cc(C(=O)NC2COCC2(C)C(=O)O)no1.
What is the InChIKey of 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is CBTMOGFMWLBRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6/c1-12(11(16)17)6-19-5-9(12)13-10(15)8-3-7(4-18-2)20-14-8/h3,9H,4-6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid?
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66254719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).