1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine

C10H20N4O — CID 115345334

IUPAC1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCC(N)c1nc(CCN(C)C)no1
InChIInChI=1S/C10H20N4O/c1-4-5-8(11)10-12-9(13-15-10)6-7-14(2)3/h8H,4-7,11H2,1-3H3
InChIKeySYWLJSSQMHLFPB-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.97
Rot. Bonds6

About 1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine

1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 115345334) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID115345334
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCCCC(N)c1nc(CCN(C)C)no1
InChIInChI=1S/C10H20N4O/c1-4-5-8(11)10-12-9(13-15-10)6-7-14(2)3/h8H,4-7,11H2,1-3H3
InChIKeySYWLJSSQMHLFPB-UHFFFAOYSA-N
XLogP0.97
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115345285
1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43670386
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 115345398
2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 107565558
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115347304
1-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43670431
(1S)-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565256
3-amino-1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837190
1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 62472893
3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43670404
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630134
1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 79405955

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 115345334) is 1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine is CCCC(N)c1nc(CCN(C)C)no1.
What is the InChIKey of 1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is SYWLJSSQMHLFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-4-5-8(11)10-12-9(13-15-10)6-7-14(2)3/h8H,4-7,11H2,1-3H3.
What are the key properties of 1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 212.30 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 115345334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).