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

C10H16N4O2 — CID 102790306

IUPAC5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC1(c2nc(C(N)=O)no2)CCCCC1N
InChIInChI=1S/C10H16N4O2/c1-10(5-3-2-4-6(10)11)9-13-8(7(12)15)14-16-9/h6H,2-5,11H2,1H3,(H2,12,15)
InChIKeyVPHMTJVWDJGHSU-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.33
Rot. Bonds2

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

5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790306) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790306
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC1(c2nc(C(N)=O)no2)CCCCC1N
InChIInChI=1S/C10H16N4O2/c1-10(5-3-2-4-6(10)11)9-13-8(7(12)15)14-16-9/h6H,2-5,11H2,1H3,(H2,12,15)
InChIKeyVPHMTJVWDJGHSU-UHFFFAOYSA-N
XLogP0.33
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-amino-1-methylcyclohexyl)-1,2,4-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

Related Compounds

2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83209965
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83213568
2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83214627
2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116741632
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116701344
2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116807646
2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116702810
5-[1-(aminomethyl)cycloheptyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790397
2-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83209392
2-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 116743165
2-methyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83214094
2-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 83213717

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide (CID 102790306) is 5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide is CC1(c2nc(C(N)=O)no2)CCCCC1N.
What is the InChIKey of 5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VPHMTJVWDJGHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(5-3-2-4-6(10)11)9-13-8(7(12)15)14-16-9/h6H,2-5,11H2,1H3,(H2,12,15).
What are the key properties of 5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide?
5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-methylcyclohexyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).