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

C14H19N3O — CID 13738

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IUPACN,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCN(CC)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H19N3O/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
InChIKeyIDCHQQSVJAAUQQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.62
Rot. Bonds6

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

N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 13738) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID13738
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCN(CC)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H19N3O/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
InChIKeyIDCHQQSVJAAUQQ-UHFFFAOYSA-N
XLogP2.62
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Butalamine
CID 30949
Proxazole
CID 8590
Phenylmethyloxadiazole
CID 98806
1,1,1,3,3,3-Hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate
CID 137349039
4,4,4-Trifluoro-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]butan-1-one
CID 56945951
3-Phenyl-1,2,4-oxadiazole-5-acetic acid
CID 7017713
Sodium perchlorate hydrate
CID 270750
5-Ethenyl-3-phenyl-1,2,4-oxadiazole
CID 14373585
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]tetrahydro-2H-pyran-4-amine
CID 16190446
(4-Fluorobenzyl)methyl[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 23723829
3-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
CID 5729353
5-Cyclohexyl-3-(p-tolyl)-1,2,4-oxadiazole
CID 867104

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 13738) is N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine is CCN(CC)CCc1nc(-c2ccccc2)no1.
What is the InChIKey of N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is IDCHQQSVJAAUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/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.
What are the key properties of N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
N,N-diethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.62, 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 is sourced from PubChem (CID 13738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).