3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine

C13H26N4O — CID 63347344

IUPAC3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(CCN(CC)CC)no1)C(C)N
InChIInChI=1S/C13H26N4O/c1-5-11(10(4)14)13-15-12(16-18-13)8-9-17(6-2)7-3/h10-11H,5-9,14H2,1-4H3
InChIKeyBUAQHRVOGXNWRC-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.79
Rot. Bonds8

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

3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 63347344) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID63347344
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(CCN(CC)CC)no1)C(C)N
InChIInChI=1S/C13H26N4O/c1-5-11(10(4)14)13-15-12(16-18-13)8-9-17(6-2)7-3/h10-11H,5-9,14H2,1-4H3
InChIKeyBUAQHRVOGXNWRC-UHFFFAOYSA-N
XLogP1.79
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115347304
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63345080
2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63561817
3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63892393
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345228
3-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347122
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352262
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43670441
(1S)-1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29050320
3-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350776
2-[5-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104900337
5-(1-bromopropyl)-3-propyl-1,2,4-oxadiazole
CID 62854731

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 63347344) is 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCC(c1nc(CCN(CC)CC)no1)C(C)N.
What is the InChIKey of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is BUAQHRVOGXNWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-5-11(10(4)14)13-15-12(16-18-13)8-9-17(6-2)7-3/h10-11H,5-9,14H2,1-4H3.
What are the key properties of 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine?
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 63347344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).