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

C8H15N3O2 — CID 106416371

IUPAC1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
SMILESCc1noc(CCNCC(C)O)n1
InChIInChI=1S/C8H15N3O2/c1-6(12)5-9-4-3-8-10-7(2)11-13-8/h6,9,12H,3-5H2,1-2H3
InChIKeyDZYLICBTAVUJHV-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.11
Rot. Bonds5

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

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol (PubChem CID 106416371) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
PubChem CID106416371
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
SMILESCc1noc(CCNCC(C)O)n1
InChIInChI=1S/C8H15N3O2/c1-6(12)5-9-4-3-8-10-7(2)11-13-8/h6,9,12H,3-5H2,1-2H3
InChIKeyDZYLICBTAVUJHV-UHFFFAOYSA-N
XLogP-0.11
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106414051
N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 106414532
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol
CID 106416605
2,2-diethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 114186104
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
ethyl 3-hydroxy-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]butanoate
CID 106419650
2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine
CID 115887438
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-phenylpropanoic acid
CID 106416924
propan-2-yl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106416705
N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine
CID 106416784
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106417246
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol (CID 106416371) is 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol is Cc1noc(CCNCC(C)O)n1.
What is the InChIKey of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The InChIKey is DZYLICBTAVUJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-6(12)5-9-4-3-8-10-7(2)11-13-8/h6,9,12H,3-5H2,1-2H3.
What are the key properties of 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol has a molecular weight of 185.23 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 106416371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).