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

C7H13N3O2 — CID 106416605

IUPAC2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol
SMILESCc1noc(CCNCCO)n1
InChIInChI=1S/C7H13N3O2/c1-6-9-7(12-10-6)2-3-8-4-5-11/h8,11H,2-5H2,1H3
InChIKeyUQHKIOYTAQTQKJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.50
Rot. Bonds5

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

2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol (PubChem CID 106416605) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol
PubChem CID106416605
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol
SMILESCc1noc(CCNCCO)n1
InChIInChI=1S/C7H13N3O2/c1-6-9-7(12-10-6)2-3-8-4-5-11/h8,11H,2-5H2,1H3
InChIKeyUQHKIOYTAQTQKJ-UHFFFAOYSA-N
XLogP-0.50
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.50
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

N',N'-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propane-1,3-diamine
CID 106416784
N-[2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethyl]acetamide
CID 106416797
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106416371
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-en-1-amine
CID 106417246
[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenyl]methanol
CID 106416528
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085
methyl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106417020
2,2-dimethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106414051
2-(4-methoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 106416674
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068
propan-2-yl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106416705

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol?
The IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol (CID 106416605) is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol is Cc1noc(CCNCCO)n1.
What is the InChIKey of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol?
The InChIKey is UQHKIOYTAQTQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-6-9-7(12-10-6)2-3-8-4-5-11/h8,11H,2-5H2,1H3.
What are the key properties of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol?
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol has a molecular weight of 171.20 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol is sourced from PubChem (CID 106416605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).