3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine

C15H21N3O — CID 63347609

IUPAC3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
SMILESCCNC(C)C(C)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C15H21N3O/c1-4-16-12(3)11(2)15-17-14(18-19-15)10-13-8-6-5-7-9-13/h5-9,11-12,16H,4,10H2,1-3H3
InChIKeyARIGNVJNYVOPOZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.76
Rot. Bonds6

About 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine (PubChem CID 63347609) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
PubChem CID63347609
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
SMILESCCNC(C)C(C)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C15H21N3O/c1-4-16-12(3)11(2)15-17-14(18-19-15)10-13-8-6-5-7-9-13/h5-9,11-12,16H,4,10H2,1-3H3
InChIKeyARIGNVJNYVOPOZ-UHFFFAOYSA-N
XLogP2.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 63347742
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 55221452
N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348667
3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63351206
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid
CID 103500383
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 63744232
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 119138999
N-methyl-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352252
N-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352034
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylbutan-1-amine
CID 119139089
1-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63349046
N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 122141386

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine?
The IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine (CID 63347609) is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine.
What is the SMILES notation for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine?
The canonical SMILES for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine is CCNC(C)C(C)c1nc(Cc2ccccc2)no1.
What is the InChIKey of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine?
The InChIKey is ARIGNVJNYVOPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-16-12(3)11(2)15-17-14(18-19-15)10-13-8-6-5-7-9-13/h5-9,11-12,16H,4,10H2,1-3H3.
What are the key properties of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine?
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine is sourced from PubChem (CID 63347609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).