N'-hydroxy-1,2-benzoxazole-3-carboximidamide

C8H7N3O2 — CID 136969995

IUPACN'-hydroxy-1,2-benzoxazole-3-carboximidamide
SMILESN/C(=N\O)c1noc2ccccc12
InChIInChI=1S/C8H7N3O2/c9-8(10-12)7-5-3-1-2-4-6(5)13-11-7/h1-4,12H,(H2,9,10)
InChIKeyIWGRMAJVPQEKDI-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.92
Rot. Bonds1

About N'-hydroxy-1,2-benzoxazole-3-carboximidamide

N'-hydroxy-1,2-benzoxazole-3-carboximidamide (PubChem CID 136969995) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is N'-hydroxy-1,2-benzoxazole-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1,2-benzoxazole-3-carboximidamide
PubChem CID136969995
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC NameN'-hydroxy-1,2-benzoxazole-3-carboximidamide
SMILESN/C(=N\O)c1noc2ccccc12
InChIInChI=1S/C8H7N3O2/c9-8(10-12)7-5-3-1-2-4-6(5)13-11-7/h1-4,12H,(H2,9,10)
InChIKeyIWGRMAJVPQEKDI-UHFFFAOYSA-N
XLogP0.92
TPSA84.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N'-hydroxy-1,2-benzoxazole-3-carboximidamide
CID 136969997
(2E)-2-(1,2-benzoxazol-3-yl)-2-hydroxyiminoacetic acid
CID 135604901
N'-amino-2-(1,2-benzoxazol-3-yl)ethanimidamide
CID 54072134
N-methyl-1,2-benzoxazole-3-carboxamide
CID 10419698
(2-amino-4-pyridinyl)-(1,2-benzoxazol-3-yl)methanone
CID 167437414
1-(1,2-benzoxazol-3-yl)-2-bromoethanone;1-(1,2-benzoxazol-3-yl)ethanone
CID 161245986
3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol
CID 67605423
1-(1,2-benzoxazol-3-yl)ethanesulfinamide
CID 166937430
2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide
CID 57368784
N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide
CID 140532901
2-N',3-N',1,4-tetrahydroxynaphthalene-2,3-dicarboximidamide
CID 135496562
2-(1,2-benzoxazol-3-ylsulfanyl)acetamide
CID 54541445

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1,2-benzoxazole-3-carboximidamide?
The IUPAC name of N'-hydroxy-1,2-benzoxazole-3-carboximidamide (CID 136969995) is N'-hydroxy-1,2-benzoxazole-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1,2-benzoxazole-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1,2-benzoxazole-3-carboximidamide is N/C(=N\O)c1noc2ccccc12.
What is the InChIKey of N'-hydroxy-1,2-benzoxazole-3-carboximidamide?
The InChIKey is IWGRMAJVPQEKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-8(10-12)7-5-3-1-2-4-6(5)13-11-7/h1-4,12H,(H2,9,10).
What are the key properties of N'-hydroxy-1,2-benzoxazole-3-carboximidamide?
N'-hydroxy-1,2-benzoxazole-3-carboximidamide has a molecular weight of 177.16 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1,2-benzoxazole-3-carboximidamide is sourced from PubChem (CID 136969995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).