N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine

C24H28N6O2 — CID 71866216

IUPACN,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine
SMILESCCc1noc(CN(CCN(Cc2nc(CC)no2)c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C24H28N6O2/c1-3-21-25-23(31-27-21)17-29(19-11-7-5-8-12-19)15-16-30(20-13-9-6-10-14-20)18-24-26-22(4-2)28-32-24/h5-14H,3-4,15-18H2,1-2H3
InChIKeySMMDZXIIFIZDPE-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.29
Rot. Bonds11

About N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine

N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine (PubChem CID 71866216) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine
PubChem CID71866216
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine
SMILESCCc1noc(CN(CCN(Cc2nc(CC)no2)c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C24H28N6O2/c1-3-21-25-23(31-27-21)17-29(19-11-7-5-8-12-19)15-16-30(20-13-9-6-10-14-20)18-24-26-22(4-2)28-32-24/h5-14H,3-4,15-18H2,1-2H3
InChIKeySMMDZXIIFIZDPE-UHFFFAOYSA-N
XLogP4.29
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine?
The IUPAC name of N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine (CID 71866216) is N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine?
The canonical SMILES for N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine is CCc1noc(CN(CCN(Cc2nc(CC)no2)c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine?
The InChIKey is SMMDZXIIFIZDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-3-21-25-23(31-27-21)17-29(19-11-7-5-8-12-19)15-16-30(20-13-9-6-10-14-20)18-24-26-22(4-2)28-32-24/h5-14H,3-4,15-18H2,1-2H3.
What are the key properties of N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine?
N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine has a molecular weight of 432.53 g/mol, XLogP of 4.29, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N'-diphenylethane-1,2-diamine is sourced from PubChem (CID 71866216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).