N'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide

C10H16N4O3 — CID 159980221

IUPACN'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide
SMILESNC(=NO)c1nonc1CC1CCC(O)CC1
InChIInChI=1S/C10H16N4O3/c11-10(12-16)9-8(13-17-14-9)5-6-1-3-7(15)4-2-6/h6-7,15-16H,1-5H2,(H2,11,12)
InChIKeyMTDRFTMWHZVGRK-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.26
Rot. Bonds3

About N'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide

N'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 159980221) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID159980221
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide
SMILESNC(=NO)c1nonc1CC1CCC(O)CC1
InChIInChI=1S/C10H16N4O3/c11-10(12-16)9-8(13-17-14-9)5-6-1-3-7(15)4-2-6/h6-7,15-16H,1-5H2,(H2,11,12)
InChIKeyMTDRFTMWHZVGRK-UHFFFAOYSA-N
XLogP0.26
TPSA117.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.26
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 157822892
CID 157822892

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide (CID 159980221) is N'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide is NC(=NO)c1nonc1CC1CCC(O)CC1.
What is the InChIKey of N'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is MTDRFTMWHZVGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c11-10(12-16)9-8(13-17-14-9)5-6-1-3-7(15)4-2-6/h6-7,15-16H,1-5H2,(H2,11,12).
What are the key properties of N'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
N'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 240.26 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(4-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 159980221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).