4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide

C10H11N5O2 — CID 5334111

IUPAC4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\OCc1ccccc1)c1nonc1N
InChIInChI=1S/C10H11N5O2/c11-9(8-10(12)15-17-13-8)14-16-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,14)(H2,12,15)
InChIKeyFTQOOUSCHVXMKQ-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.49
Rot. Bonds4

About 4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide

4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 5334111) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide
PubChem CID5334111
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\OCc1ccccc1)c1nonc1N
InChIInChI=1S/C10H11N5O2/c11-9(8-10(12)15-17-13-8)14-16-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,14)(H2,12,15)
InChIKeyFTQOOUSCHVXMKQ-UHFFFAOYSA-N
XLogP0.49
TPSA112.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Cambridge id 6316829
CID 5729906
4-amino-N'-[(4-fluorobenzyl)oxy]-1,2,5-oxadiazole-3-carboximidamide
CID 5940712
4-amino-N'-{[3-(trifluoromethyl)benzyl]oxy}-1,2,5-oxadiazole-3-carboximidamide
CID 9586640
4-Amino-N'-[(2-chloro-4-fluorobenzyl)oxy]-1,2,5-oxadiazole-3-carboximidamide
CID 9600703
4-amino-N'-({3-nitrobenzyl}oxy)-1,2,5-oxadiazole-3-carboximidamide
CID 5339917
4-Amino-N'-(2-chloro-6-fluoro-benzyloxy)-furazan-3-carboxamidine
CID 9600747
(Z)-4-Amino-N'-[(3-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 46500072
4-amino-N'-[(2-cyanobenzyl)oxy]-1,2,5-oxadiazole-3-carboximidamide
CID 9586627
4-amino-N'-[(3-nitrophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 1823304
4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide
CID 3097401
4-amino-N'-(benzyloxy)-N-methyl-1,2,5-oxadiazole-3-carboximidamide
CID 3813861
4-amino-N'-[(2-chloro-4-fluorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 588760

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide (CID 5334111) is 4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide is N/C(=N\OCc1ccccc1)c1nonc1N.
What is the InChIKey of 4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is FTQOOUSCHVXMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-9(8-10(12)15-17-13-8)14-16-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,14)(H2,12,15).
What are the key properties of 4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 233.23 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 5334111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).