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

C11H13N5O2 — CID 3813861

IUPAC4-amino-N'-methyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide
SMILESC/N=C(\NOCc1ccccc1)c1nonc1N
InChIInChI=1S/C11H13N5O2/c1-13-11(9-10(12)15-18-14-9)16-17-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,15)(H,13,16)
InChIKeyRFOMEEFBOIANOJ-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.75
Rot. Bonds4

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

4-amino-N'-methyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 3813861) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-amino-N'-methyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-methyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide
PubChem CID3813861
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4-amino-N'-methyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide
SMILESC/N=C(\NOCc1ccccc1)c1nonc1N
InChIInChI=1S/C11H13N5O2/c1-13-11(9-10(12)15-18-14-9)16-17-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,15)(H,13,16)
InChIKeyRFOMEEFBOIANOJ-UHFFFAOYSA-N
XLogP0.75
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.75
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-methyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-methyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide (CID 3813861) is 4-amino-N'-methyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-methyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-methyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide is C/N=C(\NOCc1ccccc1)c1nonc1N.
What is the InChIKey of 4-amino-N'-methyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is RFOMEEFBOIANOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-13-11(9-10(12)15-18-14-9)16-17-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 4-amino-N'-methyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-methyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 247.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-methyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 3813861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).