(4-amino-1,2,5-oxadiazol-3-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

C7H10N4O3 — CID 107219466

IUPAC(4-amino-1,2,5-oxadiazol-3-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)c2nonc2N)C1
InChIInChI=1S/C7H10N4O3/c1-7(13)2-11(3-7)6(12)4-5(8)10-14-9-4/h13H,2-3H2,1H3,(H2,8,10)
InChIKeyCIGDCDMHZWQSLI-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.14
Rot. Bonds1

About (4-amino-1,2,5-oxadiazol-3-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone

(4-amino-1,2,5-oxadiazol-3-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (PubChem CID 107219466) 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)-(3-hydroxy-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,2,5-oxadiazol-3-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
PubChem CID107219466
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name(4-amino-1,2,5-oxadiazol-3-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
SMILESCC1(O)CN(C(=O)c2nonc2N)C1
InChIInChI=1S/C7H10N4O3/c1-7(13)2-11(3-7)6(12)4-5(8)10-14-9-4/h13H,2-3H2,1H3,(H2,8,10)
InChIKeyCIGDCDMHZWQSLI-UHFFFAOYSA-N
XLogP-1.14
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
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)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone (CID 107219466) is (4-amino-1,2,5-oxadiazol-3-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,2,5-oxadiazol-3-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The canonical SMILES for (4-amino-1,2,5-oxadiazol-3-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone is CC1(O)CN(C(=O)c2nonc2N)C1.
What is the InChIKey of (4-amino-1,2,5-oxadiazol-3-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
The InChIKey is CIGDCDMHZWQSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-7(13)2-11(3-7)6(12)4-5(8)10-14-9-4/h13H,2-3H2,1H3,(H2,8,10).
What are the key properties of (4-amino-1,2,5-oxadiazol-3-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone?
(4-amino-1,2,5-oxadiazol-3-yl)-(3-hydroxy-3-methylazetidin-1-yl)methanone has a molecular weight of 198.18 g/mol, XLogP of -1.14, 1 rotatable bonds, 2 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)-(3-hydroxy-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 107219466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).