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

C9H14N4O4 — CID 81203292

IUPAC(4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1nonc1N
InChIInChI=1S/C9H14N4O4/c1-5-4-16-6(3-14)2-13(5)9(15)7-8(10)12-17-11-7/h5-6,14H,2-4H2,1H3,(H2,10,12)
InChIKeyOJKGTWAHOSCNDD-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.13
Rot. Bonds2

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

(4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 81203292) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is (4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID81203292
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name(4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1nonc1N
InChIInChI=1S/C9H14N4O4/c1-5-4-16-6(3-14)2-13(5)9(15)7-8(10)12-17-11-7/h5-6,14H,2-4H2,1H3,(H2,10,12)
InChIKeyOJKGTWAHOSCNDD-UHFFFAOYSA-N
XLogP-1.13
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(5-aminopyrazin-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107376367
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 81203609
(6-amino-3-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81212789
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 81208164
(2-amino-4,5-difluorophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81205548
[1-(2-aminoethyl)imidazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107499354
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 81219563
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
(3,5-dibromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 103909324
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81203835
(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81219797
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203700

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 81203292) is (4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1COC(CO)CN1C(=O)c1nonc1N.
What is the InChIKey of (4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is OJKGTWAHOSCNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-5-4-16-6(3-14)2-13(5)9(15)7-8(10)12-17-11-7/h5-6,14H,2-4H2,1H3,(H2,10,12).
What are the key properties of (4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
(4-amino-1,2,5-oxadiazol-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 242.23 g/mol, XLogP of -1.13, 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)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 81203292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).