2-pyrrolidin-1-yl-1,3-oxazole-4-carboximidamide

C8H12N4O — CID 112712307

IUPAC2-pyrrolidin-1-yl-1,3-oxazole-4-carboximidamide
SMILES[H]/N=C(\N)c1coc(N2CCCC2)n1
InChIInChI=1S/C8H12N4O/c9-7(10)6-5-13-8(11-6)12-3-1-2-4-12/h5H,1-4H2,(H3,9,10)
InChIKeyHQEQWHJQTRAVAU-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.56
Rot. Bonds2

About 2-pyrrolidin-1-yl-1,3-oxazole-4-carboximidamide

2-pyrrolidin-1-yl-1,3-oxazole-4-carboximidamide (PubChem CID 112712307) 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-4-carboximidamide.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1,3-oxazole-4-carboximidamide
PubChem CID112712307
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-pyrrolidin-1-yl-1,3-oxazole-4-carboximidamide
SMILES[H]/N=C(\N)c1coc(N2CCCC2)n1
InChIInChI=1S/C8H12N4O/c9-7(10)6-5-13-8(11-6)12-3-1-2-4-12/h5H,1-4H2,(H3,9,10)
InChIKeyHQEQWHJQTRAVAU-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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Related Compounds

2-chloro-1,3-oxazole-4-carboximidamide
CID 76853027
2-(dimethylamino)-1,3-oxazole-4-carboximidamide
CID 83872733
2-pyrrolidin-1-ylpyrimidine-5-carboximidamide
CID 83877819
2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 70845901
2-(2,5-dihydropyrrol-1-yl)-1,3-oxazole-4-carboxylic acid
CID 131096590
4,6-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboximidamide
CID 61175006
2-(azocan-1-yl)benzenecarboximidamide
CID 28801457
6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyridine-2-carboximidamide
CID 64596150
6-methyl-3-pyrrolidin-1-ylfuro[2,3-b]pyridine-2-carboximidamide
CID 143375023
pyridine-2,6-dicarboximidamide
CID 23373306
2-morpholin-4-yl-1,3-oxazole-5-carboximidamide
CID 112712973
N-methyl-2-morpholin-4-yl-1,3-oxazole-4-carboxamide
CID 142501279

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1,3-oxazole-4-carboximidamide?
The IUPAC name of 2-pyrrolidin-1-yl-1,3-oxazole-4-carboximidamide (CID 112712307) is 2-pyrrolidin-1-yl-1,3-oxazole-4-carboximidamide.
What is the SMILES notation for 2-pyrrolidin-1-yl-1,3-oxazole-4-carboximidamide?
The canonical SMILES for 2-pyrrolidin-1-yl-1,3-oxazole-4-carboximidamide is [H]/N=C(\N)c1coc(N2CCCC2)n1.
What is the InChIKey of 2-pyrrolidin-1-yl-1,3-oxazole-4-carboximidamide?
The InChIKey is HQEQWHJQTRAVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-7(10)6-5-13-8(11-6)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-4-carboximidamide?
2-pyrrolidin-1-yl-1,3-oxazole-4-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-4-carboximidamide is sourced from PubChem (CID 112712307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).