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

C12H20N4O3 — CID 65119891

IUPAC4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)c2nonc2N)CC1
InChIInChI=1S/C12H20N4O3/c1-11(2)3-5-12(18,6-4-11)7-14-10(17)8-9(13)16-19-15-8/h18H,3-7H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyMUDYTKRNULIEIQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.71
Rot. Bonds3

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

4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 65119891) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID65119891
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)c2nonc2N)CC1
InChIInChI=1S/C12H20N4O3/c1-11(2)3-5-12(18,6-4-11)7-14-10(17)8-9(13)16-19-15-8/h18H,3-7H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyMUDYTKRNULIEIQ-UHFFFAOYSA-N
XLogP0.71
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide (CID 65119891) is 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is CC1(C)CCC(O)(CNC(=O)c2nonc2N)CC1.
What is the InChIKey of 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is MUDYTKRNULIEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-11(2)3-5-12(18,6-4-11)7-14-10(17)8-9(13)16-19-15-8/h18H,3-7H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 65119891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).