2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide

C8H12N4O — CID 112712306

IUPAC2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N2CCCC2)o1
InChIInChI=1S/C8H12N4O/c9-7(10)6-5-11-8(13-6)12-3-1-2-4-12/h5H,1-4H2,(H3,9,10)
InChIKeySSESDHWUMCEHRO-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.56
Rot. Bonds2

About 2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide

2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide (PubChem CID 112712306) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide
PubChem CID112712306
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N2CCCC2)o1
InChIInChI=1S/C8H12N4O/c9-7(10)6-5-11-8(13-6)12-3-1-2-4-12/h5H,1-4H2,(H3,9,10)
InChIKeySSESDHWUMCEHRO-UHFFFAOYSA-N
XLogP0.56
TPSA79.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide?
The IUPAC name of 2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide (CID 112712306) is 2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide?
The canonical SMILES for 2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide is [H]/N=C(\N)c1cnc(N2CCCC2)o1.
What is the InChIKey of 2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide?
The InChIKey is SSESDHWUMCEHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-7(10)6-5-11-8(13-6)12-3-1-2-4-12/h5H,1-4H2,(H3,9,10).
What are the key properties of 2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide?
2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide has a molecular weight of 180.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1,3-oxazole-5-carboximidamide is sourced from PubChem (CID 112712306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).