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

C10H16N4O3 — CID 83033443

IUPAC4-amino-N-(2,2-dimethyloxan-4-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2nonc2N)CCO1
InChIInChI=1S/C10H16N4O3/c1-10(2)5-6(3-4-16-10)12-9(15)7-8(11)14-17-13-7/h6H,3-5H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyDOMOQDYEBRMEAD-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.34
Rot. Bonds2

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

4-amino-N-(2,2-dimethyloxan-4-yl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 83033443) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethyloxan-4-yl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethyloxan-4-yl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID83033443
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-amino-N-(2,2-dimethyloxan-4-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2nonc2N)CCO1
InChIInChI=1S/C10H16N4O3/c1-10(2)5-6(3-4-16-10)12-9(15)7-8(11)14-17-13-7/h6H,3-5H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyDOMOQDYEBRMEAD-UHFFFAOYSA-N
XLogP0.34
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide
CID 55103467
4-amino-N-(3-cyclohexyloxypropyl)-1,2,5-oxadiazole-3-carboxamide
CID 61699897
4-amino-N-(3-ethoxypropyl)-1,2,5-oxadiazole-3-carboxamide
CID 61700632
4-amino-N-(5-methylhexan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 61701006
4-amino-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,5-oxadiazole-3-carboxamide
CID 61701008
4-amino-N-[2-(oxolan-2-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 62685814
4-amino-N-(3-propan-2-yloxypropyl)-1,2,5-oxadiazole-3-carboxamide
CID 62685822
4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide
CID 62685835
4-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62686736
4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62687224
4-amino-N-(oxan-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687286
4-amino-N-(oxan-4-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62687774

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethyloxan-4-yl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,2-dimethyloxan-4-yl)-1,2,5-oxadiazole-3-carboxamide (CID 83033443) is 4-amino-N-(2,2-dimethyloxan-4-yl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethyloxan-4-yl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-dimethyloxan-4-yl)-1,2,5-oxadiazole-3-carboxamide is CC1(C)CC(NC(=O)c2nonc2N)CCO1.
What is the InChIKey of 4-amino-N-(2,2-dimethyloxan-4-yl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is DOMOQDYEBRMEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2)5-6(3-4-16-10)12-9(15)7-8(11)14-17-13-7/h6H,3-5H2,1-2H3,(H2,11,14)(H,12,15).
What are the key properties of 4-amino-N-(2,2-dimethyloxan-4-yl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2,2-dimethyloxan-4-yl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethyloxan-4-yl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 83033443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).