1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine

C15H21N3O2 — CID 61352732

IUPAC1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
SMILESCc1cc(-c2nc(C3(N)CCCC(C)C3)no2)c(C)o1
InChIInChI=1S/C15H21N3O2/c1-9-5-4-6-15(16,8-9)14-17-13(20-18-14)12-7-10(2)19-11(12)3/h7,9H,4-6,8,16H2,1-3H3
InChIKeyIHNJPRYEKJCNLU-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.31
Rot. Bonds2

About 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine

1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine (PubChem CID 61352732) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
PubChem CID61352732
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
SMILESCc1cc(-c2nc(C3(N)CCCC(C)C3)no2)c(C)o1
InChIInChI=1S/C15H21N3O2/c1-9-5-4-6-15(16,8-9)14-17-13(20-18-14)12-7-10(2)19-11(12)3/h7,9H,4-6,8,16H2,1-3H3
InChIKeyIHNJPRYEKJCNLU-UHFFFAOYSA-N
XLogP3.31
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine with MolForge

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Related Compounds

1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 107992737
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 61352127
3-methyl-1-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 102922589
1-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 102811168
1-[5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 114560830
1-[5-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863234
4-[3-(1-amino-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 61352527
3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352329
1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 104639528
1-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine
CID 62960296
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 43559385
3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 43559629

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine (CID 61352732) is 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine is Cc1cc(-c2nc(C3(N)CCCC(C)C3)no2)c(C)o1.
What is the InChIKey of 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
The InChIKey is IHNJPRYEKJCNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-5-4-6-15(16,8-9)14-17-13(20-18-14)12-7-10(2)19-11(12)3/h7,9H,4-6,8,16H2,1-3H3.
What are the key properties of 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine?
1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 61352732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).