(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone

C7H10N4O3 — CID 551072

IUPAC(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone
SMILESNc1nonc1C(=O)N1CCOCC1
InChIInChI=1S/C7H10N4O3/c8-6-5(9-14-10-6)7(12)11-1-3-13-4-2-11/h1-4H2,(H2,8,10)
InChIKeyLHPKLYSEDDBERI-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.88
Rot. Bonds1

About (4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone

(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 551072) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is (4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone
PubChem CID551072
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone
SMILESNc1nonc1C(=O)N1CCOCC1
InChIInChI=1S/C7H10N4O3/c8-6-5(9-14-10-6)7(12)11-1-3-13-4-2-11/h1-4H2,(H2,8,10)
InChIKeyLHPKLYSEDDBERI-UHFFFAOYSA-N
XLogP-0.88
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone (CID 551072) is (4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone is Nc1nonc1C(=O)N1CCOCC1.
What is the InChIKey of (4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is LHPKLYSEDDBERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c8-6-5(9-14-10-6)7(12)11-1-3-13-4-2-11/h1-4H2,(H2,8,10).
What are the key properties of (4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone?
(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 198.18 g/mol, XLogP of -0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 551072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).