4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide

C8H12N4O3 — CID 62687774

IUPAC4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NC1CCOCC1
InChIInChI=1S/C8H12N4O3/c9-7-6(11-15-12-7)8(13)10-5-1-3-14-4-2-5/h5H,1-4H2,(H2,9,12)(H,10,13)
InChIKeyUSFXDSFSFMNADA-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.44
Rot. Bonds2

About 4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687774) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687774
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NC1CCOCC1
InChIInChI=1S/C8H12N4O3/c9-7-6(11-15-12-7)8(13)10-5-1-3-14-4-2-5/h5H,1-4H2,(H2,9,12)(H,10,13)
InChIKeyUSFXDSFSFMNADA-UHFFFAOYSA-N
XLogP-0.44
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide (CID 62687774) is 4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NC1CCOCC1.
What is the InChIKey of 4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is USFXDSFSFMNADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c9-7-6(11-15-12-7)8(13)10-5-1-3-14-4-2-5/h5H,1-4H2,(H2,9,12)(H,10,13).
What are the key properties of 4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 212.21 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).