4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid

C11H16N4O5 — CID 106403416

IUPAC4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid
SMILESO=C(NCc1ncon1)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H16N4O5/c16-9(17)11(1-3-19-4-2-11)6-13-10(18)12-5-8-14-7-20-15-8/h7H,1-6H2,(H,16,17)(H2,12,13,18)
InChIKeyZNEOQZYSQLPLPS-UHFFFAOYSA-N
MW284.27 g/mol
LogP-0.25
Rot. Bonds5

About 4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid

4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid (PubChem CID 106403416) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid
PubChem CID106403416
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid
SMILESO=C(NCc1ncon1)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C11H16N4O5/c16-9(17)11(1-3-19-4-2-11)6-13-10(18)12-5-8-14-7-20-15-8/h7H,1-6H2,(H,16,17)(H2,12,13,18)
InChIKeyZNEOQZYSQLPLPS-UHFFFAOYSA-N
XLogP-0.25
TPSA126.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid (CID 106403416) is 4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid is O=C(NCc1ncon1)NCC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid?
The InChIKey is ZNEOQZYSQLPLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c16-9(17)11(1-3-19-4-2-11)6-13-10(18)12-5-8-14-7-20-15-8/h7H,1-6H2,(H,16,17)(H2,12,13,18).
What are the key properties of 4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid?
4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 106403416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).