4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide

C9H14N4O3 — CID 106397159

IUPAC4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCc2ncon2)CCOCC1
InChIInChI=1S/C9H14N4O3/c10-9(1-3-15-4-2-9)8(14)11-5-7-12-6-16-13-7/h6H,1-5,10H2,(H,11,14)
InChIKeyJATLWXNUULMUTD-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.81
Rot. Bonds3

About 4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide

4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide (PubChem CID 106397159) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide
PubChem CID106397159
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCc2ncon2)CCOCC1
InChIInChI=1S/C9H14N4O3/c10-9(1-3-15-4-2-9)8(14)11-5-7-12-6-16-13-7/h6H,1-5,10H2,(H,11,14)
InChIKeyJATLWXNUULMUTD-UHFFFAOYSA-N
XLogP-0.81
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide (CID 106397159) is 4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide is NC1(C(=O)NCc2ncon2)CCOCC1.
What is the InChIKey of 4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide?
The InChIKey is JATLWXNUULMUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c10-9(1-3-15-4-2-9)8(14)11-5-7-12-6-16-13-7/h6H,1-5,10H2,(H,11,14).
What are the key properties of 4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide?
4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide has a molecular weight of 226.24 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 106397159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).