4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine

C15H22N4O2 — CID 79118319

IUPAC4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)Cc2nnc(-c3ccco3)o2)CC1
InChIInChI=1S/C15H22N4O2/c1-16-11-5-7-12(8-6-11)19(2)10-14-17-18-15(21-14)13-4-3-9-20-13/h3-4,9,11-12,16H,5-8,10H2,1-2H3
InChIKeyKSDGRCDYEIOBOY-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.29
Rot. Bonds5

About 4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79118319) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79118319
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)Cc2nnc(-c3ccco3)o2)CC1
InChIInChI=1S/C15H22N4O2/c1-16-11-5-7-12(8-6-11)19(2)10-14-17-18-15(21-14)13-4-3-9-20-13/h3-4,9,11-12,16H,5-8,10H2,1-2H3
InChIKeyKSDGRCDYEIOBOY-UHFFFAOYSA-N
XLogP2.29
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79118319) is 4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine is CNC1CCC(N(C)Cc2nnc(-c3ccco3)o2)CC1.
What is the InChIKey of 4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is KSDGRCDYEIOBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-16-11-5-7-12(8-6-11)19(2)10-14-17-18-15(21-14)13-4-3-9-20-13/h3-4,9,11-12,16H,5-8,10H2,1-2H3.
What are the key properties of 4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 290.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79118319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).