N'-hydroxy-2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide

C8H12N4O2 — CID 112712970

IUPACN'-hydroxy-2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide
SMILESN/C(=N/O)c1cnc(N2CCCC2)o1
InChIInChI=1S/C8H12N4O2/c9-7(11-13)6-5-10-8(14-6)12-3-1-2-4-12/h5,13H,1-4H2,(H2,9,11)
InChIKeyXFHLENVVCRBPFN-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.37
Rot. Bonds2

About N'-hydroxy-2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide

N'-hydroxy-2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide (PubChem CID 112712970) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N'-hydroxy-2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide
PubChem CID112712970
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN'-hydroxy-2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide
SMILESN/C(=N/O)c1cnc(N2CCCC2)o1
InChIInChI=1S/C8H12N4O2/c9-7(11-13)6-5-10-8(14-6)12-3-1-2-4-12/h5,13H,1-4H2,(H2,9,11)
InChIKeyXFHLENVVCRBPFN-UHFFFAOYSA-N
XLogP0.37
TPSA87.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.37
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-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide?
The IUPAC name of N'-hydroxy-2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide (CID 112712970) is N'-hydroxy-2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide?
The canonical SMILES for N'-hydroxy-2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide is N/C(=N/O)c1cnc(N2CCCC2)o1.
What is the InChIKey of N'-hydroxy-2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide?
The InChIKey is XFHLENVVCRBPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-7(11-13)6-5-10-8(14-6)12-3-1-2-4-12/h5,13H,1-4H2,(H2,9,11).
What are the key properties of N'-hydroxy-2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide?
N'-hydroxy-2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide has a molecular weight of 196.21 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide is sourced from PubChem (CID 112712970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).