5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C10H14N2O6 — CID 107426818

IUPAC5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)NCC2COCCO2)C1
InChIInChI=1S/C10H14N2O6/c13-9(8-3-7(10(14)15)12-18-8)11-4-6-5-16-1-2-17-6/h6,8H,1-5H2,(H,11,13)(H,14,15)
InChIKeyBOQTYAXVFXFAEA-UHFFFAOYSA-N
MW258.23 g/mol
LogP-1.25
Rot. Bonds4

About 5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107426818) has the molecular formula C10H14N2O6 and a molecular weight of 258.23 g/mol. Its IUPAC name is 5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107426818
Molecular FormulaC10H14N2O6
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Name5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(C(=O)NCC2COCCO2)C1
InChIInChI=1S/C10H14N2O6/c13-9(8-3-7(10(14)15)12-18-8)11-4-6-5-16-1-2-17-6/h6,8H,1-5H2,(H,11,13)(H,14,15)
InChIKeyBOQTYAXVFXFAEA-UHFFFAOYSA-N
XLogP-1.25
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107426818) is 5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is O=C(O)C1=NOC(C(=O)NCC2COCCO2)C1.
What is the InChIKey of 5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is BOQTYAXVFXFAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6/c13-9(8-3-7(10(14)15)12-18-8)11-4-6-5-16-1-2-17-6/h6,8H,1-5H2,(H,11,13)(H,14,15).
What are the key properties of 5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 258.23 g/mol, XLogP of -1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxan-2-ylmethylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107426818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).