4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid

C11H15N3O5 — CID 81176837

IUPAC4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCc1ccon1)C1COCC1C(=O)O
InChIInChI=1S/C11H15N3O5/c1-14(9-6-18-5-8(9)10(15)16)11(17)12-4-7-2-3-19-13-7/h2-3,8-9H,4-6H2,1H3,(H,12,17)(H,15,16)
InChIKeyNWMJWISHFXYUSE-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.08
Rot. Bonds4

About 4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid

4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid (PubChem CID 81176837) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
PubChem CID81176837
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCc1ccon1)C1COCC1C(=O)O
InChIInChI=1S/C11H15N3O5/c1-14(9-6-18-5-8(9)10(15)16)11(17)12-4-7-2-3-19-13-7/h2-3,8-9H,4-6H2,1H3,(H,12,17)(H,15,16)
InChIKeyNWMJWISHFXYUSE-UHFFFAOYSA-N
XLogP-0.08
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid (CID 81176837) is 4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid is CN(C(=O)NCc1ccon1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is NWMJWISHFXYUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-14(9-6-18-5-8(9)10(15)16)11(17)12-4-7-2-3-19-13-7/h2-3,8-9H,4-6H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1,2-oxazol-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 81176837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).