4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol

C12H23N3O2 — CID 79191511

IUPAC4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESCCN(CC)CCc1noc(CCCCO)n1
InChIInChI=1S/C12H23N3O2/c1-3-15(4-2)9-8-11-13-12(17-14-11)7-5-6-10-16/h16H,3-10H2,1-2H3
InChIKeyKVCZHULLFBTKJN-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.27
Rot. Bonds9

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

4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol (PubChem CID 79191511) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
PubChem CID79191511
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESCCN(CC)CCc1noc(CCCCO)n1
InChIInChI=1S/C12H23N3O2/c1-3-15(4-2)9-8-11-13-12(17-14-11)7-5-6-10-16/h16H,3-10H2,1-2H3
InChIKeyKVCZHULLFBTKJN-UHFFFAOYSA-N
XLogP1.27
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol
CID 110903094
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 106815759
N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55243449
2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
CID 43655469
2-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115076899
N,N-diethyl-2-[5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62216530
3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79964447
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112469
4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79192141
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62022852
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345228
1-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 65243264

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol?
The IUPAC name of 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol (CID 79191511) is 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol.
What is the SMILES notation for 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol?
The canonical SMILES for 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol is CCN(CC)CCc1noc(CCCCO)n1.
What is the InChIKey of 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol?
The InChIKey is KVCZHULLFBTKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-15(4-2)9-8-11-13-12(17-14-11)7-5-6-10-16/h16H,3-10H2,1-2H3.
What are the key properties of 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol?
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 1.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol is sourced from PubChem (CID 79191511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).