(4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

C10H16N4O4 — CID 114776658

IUPAC(4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2nonc2N)CC(CO)O1
InChIInChI=1S/C10H16N4O4/c1-10(2)5-14(3-6(4-15)17-10)9(16)7-8(11)13-18-12-7/h6,15H,3-5H2,1-2H3,(H2,11,13)
InChIKeyRFWKFFCFEOLQAL-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.74
Rot. Bonds2

About (4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

(4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 114776658) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID114776658
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name(4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2nonc2N)CC(CO)O1
InChIInChI=1S/C10H16N4O4/c1-10(2)5-14(3-6(4-15)17-10)9(16)7-8(11)13-18-12-7/h6,15H,3-5H2,1-2H3,(H2,11,13)
InChIKeyRFWKFFCFEOLQAL-UHFFFAOYSA-N
XLogP-0.74
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 114776658) is (4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is CC1(C)CN(C(=O)c2nonc2N)CC(CO)O1.
What is the InChIKey of (4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is RFWKFFCFEOLQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-10(2)5-14(3-6(4-15)17-10)9(16)7-8(11)13-18-12-7/h6,15H,3-5H2,1-2H3,(H2,11,13).
What are the key properties of (4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
(4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 256.26 g/mol, XLogP of -0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2,5-oxadiazol-3-yl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 114776658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).