N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride

C14H20ClN3O — CID 76958540

IUPACN,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCCN(CC)CCc1nc(-c2ccccc2)no1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3;1H
InChIKeyYHLIBHCNFDRYFW-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.04
Rot. Bonds6

About N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride

N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (PubChem CID 76958540) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
PubChem CID76958540
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCCN(CC)CCc1nc(-c2ccccc2)no1.Cl
InChIInChI=1S/C14H19N3O.ClH/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3;1H
InChIKeyYHLIBHCNFDRYFW-UHFFFAOYSA-N
XLogP3.04
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (CID 76958540) is N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is CCN(CC)CCc1nc(-c2ccccc2)no1.Cl.
What is the InChIKey of N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is YHLIBHCNFDRYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.ClH/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3;1H.
What are the key properties of N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 76958540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).