4-amino-N-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide

C12H15N5O2 — CID 135936842

IUPAC4-amino-N-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide
SMILESCC(C)c1cccc(/N=C(\NO)c2nonc2N)c1
InChIInChI=1S/C12H15N5O2/c1-7(2)8-4-3-5-9(6-8)14-12(15-18)10-11(13)17-19-16-10/h3-7,18H,1-2H3,(H2,13,17)(H,14,15)
InChIKeyMHDAOJWVQGRNDF-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.83
Rot. Bonds3

About 4-amino-N-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide

4-amino-N-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 135936842) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-amino-N-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide
PubChem CID135936842
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name4-amino-N-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide
SMILESCC(C)c1cccc(/N=C(\NO)c2nonc2N)c1
InChIInChI=1S/C12H15N5O2/c1-7(2)8-4-3-5-9(6-8)14-12(15-18)10-11(13)17-19-16-10/h3-7,18H,1-2H3,(H2,13,17)(H,14,15)
InChIKeyMHDAOJWVQGRNDF-UHFFFAOYSA-N
XLogP1.83
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.83
H-Bond Donors ≤ 53
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-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide (CID 135936842) is 4-amino-N-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide is CC(C)c1cccc(/N=C(\NO)c2nonc2N)c1.
What is the InChIKey of 4-amino-N-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is MHDAOJWVQGRNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7(2)8-4-3-5-9(6-8)14-12(15-18)10-11(13)17-19-16-10/h3-7,18H,1-2H3,(H2,13,17)(H,14,15).
What are the key properties of 4-amino-N-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 261.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hydroxy-N'-(3-propan-2-ylphenyl)-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 135936842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).