N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine

C23H30N4O — CID 23723305

IUPACN-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)Cc1nc(C(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C23H30N4O/c1-4-27(5-2)17-16-26(3)18-21-24-23(25-28-21)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,22H,4-5,16-18H2,1-3H3
InChIKeyVZTRLBASMXUHDB-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.02
Rot. Bonds10

About N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine

N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine (PubChem CID 23723305) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
PubChem CID23723305
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)Cc1nc(C(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C23H30N4O/c1-4-27(5-2)17-16-26(3)18-21-24-23(25-28-21)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,22H,4-5,16-18H2,1-3H3
InChIKeyVZTRLBASMXUHDB-UHFFFAOYSA-N
XLogP4.02
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
The IUPAC name of N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine (CID 23723305) is N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine is CCN(CC)CCN(C)Cc1nc(C(c2ccccc2)c2ccccc2)no1.
What is the InChIKey of N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
The InChIKey is VZTRLBASMXUHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-4-27(5-2)17-16-26(3)18-21-24-23(25-28-21)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,22H,4-5,16-18H2,1-3H3.
What are the key properties of N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine?
N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine has a molecular weight of 378.52 g/mol, XLogP of 4.02, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 23723305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).