3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol

C10H19N3O3 — CID 111112469

IUPAC3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol
SMILESCCc1noc(CN(CCO)CCCO)n1
InChIInChI=1S/C10H19N3O3/c1-2-9-11-10(16-12-9)8-13(5-7-15)4-3-6-14/h14-15H,2-8H2,1H3
InChIKeyWCNAIKIOOPDHGZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.19
Rot. Bonds8

About 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol

3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 111112469) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol
PubChem CID111112469
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol
SMILESCCc1noc(CN(CCO)CCCO)n1
InChIInChI=1S/C10H19N3O3/c1-2-9-11-10(16-12-9)8-13(5-7-15)4-3-6-14/h14-15H,2-8H2,1H3
InChIKeyWCNAIKIOOPDHGZ-UHFFFAOYSA-N
XLogP-0.19
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62022852
3-[cyclobutyl-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
CID 102848575
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111110109
2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol
CID 110903094
2-[butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60968468
N'-benzyl-N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
CID 107366992
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112532
3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111113510
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191511
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 111753093
3-[N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-1-ol
CID 111860036
3-[2,2-dimethoxyethyl-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propan-1-ol
CID 75453471

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol (CID 111112469) is 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol is CCc1noc(CN(CCO)CCCO)n1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is WCNAIKIOOPDHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-2-9-11-10(16-12-9)8-13(5-7-15)4-3-6-14/h14-15H,2-8H2,1H3.
What are the key properties of 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol?
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 229.28 g/mol, XLogP of -0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 111112469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).