4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide

C10H10ClN5O2 — CID 2848662

IUPAC4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
SMILESNC(=NOCc1ccc(Cl)cc1)c1nonc1N
InChIInChI=1S/C10H10ClN5O2/c11-7-3-1-6(2-4-7)5-17-15-9(12)8-10(13)16-18-14-8/h1-4H,5H2,(H2,12,15)(H2,13,16)
InChIKeyBPXWDQNTUWEZLX-UHFFFAOYSA-N
MW267.68 g/mol
LogP1.14
Rot. Bonds4

About 4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide

4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 2848662) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is 4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID2848662
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Name4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
SMILESNC(=NOCc1ccc(Cl)cc1)c1nonc1N
InChIInChI=1S/C10H10ClN5O2/c11-7-3-1-6(2-4-7)5-17-15-9(12)8-10(13)16-18-14-8/h1-4H,5H2,(H2,12,15)(H2,13,16)
InChIKeyBPXWDQNTUWEZLX-UHFFFAOYSA-N
XLogP1.14
TPSA112.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 51.14
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

4-amino-N'-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 5374202
4-amino-N'-[(2-cyanophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide
CID 2893154
2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxyacetamide
CID 5363180
4-amino-N'-[(3-chloro-4-methylphenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 70642546
4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 70642650
2-[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 12004874
[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 4-fluorobenzoate
CID 6264956
4-amino-N'-[(4-ethylphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 43834602
benzyl N-[C-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-chloro-4-fluorophenyl)carbonimidoyl]carbamate
CID 139520753
N'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide
CID 2821139
(E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine
CID 142638631
4-amino-N'-phenyl-N-phenylmethoxy-1,2,5-oxadiazole-3-carboximidamide
CID 30023841

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide (CID 2848662) is 4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide is NC(=NOCc1ccc(Cl)cc1)c1nonc1N.
What is the InChIKey of 4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is BPXWDQNTUWEZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c11-7-3-1-6(2-4-7)5-17-15-9(12)8-10(13)16-18-14-8/h1-4H,5H2,(H2,12,15)(H2,13,16).
What are the key properties of 4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 267.68 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[(4-chlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 2848662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).