cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine

C17H25N3O2 — CID 129446163

IUPACcis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCc1cc(-c2nnc(CN(C)[C@H]3CCCC[C@H]3C)o2)c(C)o1
InChIInChI=1S/C17H25N3O2/c1-11-7-5-6-8-15(11)20(4)10-16-18-19-17(22-16)14-9-12(2)21-13(14)3/h9,11,15H,5-8,10H2,1-4H3/t11-,15+/m1/s1
InChIKeyNPLHIJKKNIZWBC-ABAIWWIYSA-N
MW303.41 g/mol
LogP3.96
Rot. Bonds4

About cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine

cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 129446163) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID129446163
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Namecis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCc1cc(-c2nnc(CN(C)[C@H]3CCCC[C@H]3C)o2)c(C)o1
InChIInChI=1S/C17H25N3O2/c1-11-7-5-6-8-15(11)20(4)10-16-18-19-17(22-16)14-9-12(2)21-13(14)3/h9,11,15H,5-8,10H2,1-4H3/t11-,15+/m1/s1
InChIKeyNPLHIJKKNIZWBC-ABAIWWIYSA-N
XLogP3.96
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine (CID 129446163) is cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine is Cc1cc(-c2nnc(CN(C)[C@H]3CCCC[C@H]3C)o2)c(C)o1.
What is the InChIKey of cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is NPLHIJKKNIZWBC-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11-7-5-6-8-15(11)20(4)10-16-18-19-17(22-16)14-9-12(2)21-13(14)3/h9,11,15H,5-8,10H2,1-4H3/t11-,15+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine?
cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 303.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 129446163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).