2-(diethylamino)-1,3-oxazole-5-carboximidamide

C8H14N4O — CID 112712401

IUPAC2-(diethylamino)-1,3-oxazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N(CC)CC)o1
InChIInChI=1S/C8H14N4O/c1-3-12(4-2)8-11-5-6(13-8)7(9)10/h5H,3-4H2,1-2H3,(H3,9,10)
InChIKeyWPWYLQNRQPFKPG-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.80
Rot. Bonds4

About 2-(diethylamino)-1,3-oxazole-5-carboximidamide

2-(diethylamino)-1,3-oxazole-5-carboximidamide (PubChem CID 112712401) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(diethylamino)-1,3-oxazole-5-carboximidamide.

Molecular Properties

Compound Name2-(diethylamino)-1,3-oxazole-5-carboximidamide
PubChem CID112712401
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(diethylamino)-1,3-oxazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N(CC)CC)o1
InChIInChI=1S/C8H14N4O/c1-3-12(4-2)8-11-5-6(13-8)7(9)10/h5H,3-4H2,1-2H3,(H3,9,10)
InChIKeyWPWYLQNRQPFKPG-UHFFFAOYSA-N
XLogP0.80
TPSA79.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.80
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-(diethylamino)-1,3-oxazole-5-carboximidamide?
The IUPAC name of 2-(diethylamino)-1,3-oxazole-5-carboximidamide (CID 112712401) is 2-(diethylamino)-1,3-oxazole-5-carboximidamide.
What is the SMILES notation for 2-(diethylamino)-1,3-oxazole-5-carboximidamide?
The canonical SMILES for 2-(diethylamino)-1,3-oxazole-5-carboximidamide is [H]/N=C(\N)c1cnc(N(CC)CC)o1.
What is the InChIKey of 2-(diethylamino)-1,3-oxazole-5-carboximidamide?
The InChIKey is WPWYLQNRQPFKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-12(4-2)8-11-5-6(13-8)7(9)10/h5H,3-4H2,1-2H3,(H3,9,10).
What are the key properties of 2-(diethylamino)-1,3-oxazole-5-carboximidamide?
2-(diethylamino)-1,3-oxazole-5-carboximidamide has a molecular weight of 182.23 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1,3-oxazole-5-carboximidamide is sourced from PubChem (CID 112712401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).