2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol

C7H13N3O2 — CID 115076915

IUPAC2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCNC(C)c1noc(CCO)n1
InChIInChI=1S/C7H13N3O2/c1-5(8-2)7-9-6(3-4-11)12-10-7/h5,8,11H,3-4H2,1-2H3
InChIKeyJNZAXGCYJVJMQX-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.12
Rot. Bonds4

About 2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol

2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 115076915) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID115076915
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCNC(C)c1noc(CCO)n1
InChIInChI=1S/C7H13N3O2/c1-5(8-2)7-9-6(3-4-11)12-10-7/h5,8,11H,3-4H2,1-2H3
InChIKeyJNZAXGCYJVJMQX-UHFFFAOYSA-N
XLogP-0.12
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115076899
N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078191
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
N-(3-hydroxypropyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 110893892
(2R)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119244349
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79200735
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 115078850
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 64539003
1-propan-2-yl-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111809405
1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol
CID 102660835

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 115076915) is 2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol is CNC(C)c1noc(CCO)n1.
What is the InChIKey of 2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is JNZAXGCYJVJMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-5(8-2)7-9-6(3-4-11)12-10-7/h5,8,11H,3-4H2,1-2H3.
What are the key properties of 2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol?
2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 171.20 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 115076915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).