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

C16H15N5O2 — CID 30023841

IUPAC4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNc1nonc1/C(=N/c1ccccc1)NOCc1ccccc1
InChIInChI=1S/C16H15N5O2/c17-15-14(19-23-20-15)16(18-13-9-5-2-6-10-13)21-22-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,20)(H,18,21)
InChIKeyFPVJVQYMVSRLJF-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.45
Rot. Bonds5

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

4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 30023841) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide
PubChem CID30023841
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide
SMILESNc1nonc1/C(=N/c1ccccc1)NOCc1ccccc1
InChIInChI=1S/C16H15N5O2/c17-15-14(19-23-20-15)16(18-13-9-5-2-6-10-13)21-22-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,20)(H,18,21)
InChIKeyFPVJVQYMVSRLJF-UHFFFAOYSA-N
XLogP2.45
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.45
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'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide (CID 30023841) is 4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide is Nc1nonc1/C(=N/c1ccccc1)NOCc1ccccc1.
What is the InChIKey of 4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is FPVJVQYMVSRLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c17-15-14(19-23-20-15)16(18-13-9-5-2-6-10-13)21-22-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,20)(H,18,21).
What are the key properties of 4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 309.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 30023841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).