4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide

C10H16N4O3 — CID 114148196

IUPAC4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C10H16N4O3/c11-9-8(13-17-14-9)10(16)12-5-6-2-1-3-7(15)4-6/h6-7,15H,1-5H2,(H2,11,14)(H,12,16)
InChIKeyZNQKQLAGLHZQQE-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.07
Rot. Bonds3

About 4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 114148196) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID114148196
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C10H16N4O3/c11-9-8(13-17-14-9)10(16)12-5-6-2-1-3-7(15)4-6/h6-7,15H,1-5H2,(H2,11,14)(H,12,16)
InChIKeyZNQKQLAGLHZQQE-UHFFFAOYSA-N
XLogP-0.07
TPSA114.27 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 ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[2-(cyclohexylmethylamino)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 39732204
3-amino-N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 106135008
3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 114148147
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688692
N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 103707640
5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide
CID 106118990
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
N-[(3-hydroxycyclohexyl)methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 111460192
2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103950304
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146199

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (CID 114148196) is 4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCC1CCCC(O)C1.
What is the InChIKey of 4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ZNQKQLAGLHZQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c11-9-8(13-17-14-9)10(16)12-5-6-2-1-3-7(15)4-6/h6-7,15H,1-5H2,(H2,11,14)(H,12,16).
What are the key properties of 4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-hydroxycyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 114148196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).