4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide

C10H16N4O2 — CID 62687223

IUPAC4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCC1CCCCC1
InChIInChI=1S/C10H16N4O2/c11-9-8(13-16-14-9)10(15)12-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,14)(H,12,15)
InChIKeyLMUMGZXENBDFGR-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.96
Rot. Bonds3

About 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687223) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687223
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCC1CCCCC1
InChIInChI=1S/C10H16N4O2/c11-9-8(13-16-14-9)10(15)12-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,14)(H,12,15)
InChIKeyLMUMGZXENBDFGR-UHFFFAOYSA-N
XLogP0.96
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide (CID 62687223) is 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCC1CCCCC1.
What is the InChIKey of 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is LMUMGZXENBDFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-9-8(13-16-14-9)10(15)12-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,14)(H,12,15).
What are the key properties of 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).