N'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide

C9H14N4O2 — CID 112713799

IUPACN'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide
SMILESN/C(Cc1cnc(N2CCCC2)o1)=N\O
InChIInChI=1S/C9H14N4O2/c10-8(12-14)5-7-6-11-9(15-7)13-3-1-2-4-13/h6,14H,1-5H2,(H2,10,12)
InChIKeyAFLFQHOYLASEOE-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.56
Rot. Bonds3

About N'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide

N'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide (PubChem CID 112713799) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide
PubChem CID112713799
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide
SMILESN/C(Cc1cnc(N2CCCC2)o1)=N\O
InChIInChI=1S/C9H14N4O2/c10-8(12-14)5-7-6-11-9(15-7)13-3-1-2-4-13/h6,14H,1-5H2,(H2,10,12)
InChIKeyAFLFQHOYLASEOE-UHFFFAOYSA-N
XLogP0.56
TPSA87.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide (CID 112713799) is N'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide is N/C(Cc1cnc(N2CCCC2)o1)=N\O.
What is the InChIKey of N'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide?
The InChIKey is AFLFQHOYLASEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-8(12-14)5-7-6-11-9(15-7)13-3-1-2-4-13/h6,14H,1-5H2,(H2,10,12).
What are the key properties of N'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide?
N'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide has a molecular weight of 210.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)ethanimidamide is sourced from PubChem (CID 112713799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).