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

C9H17N3O3 — CID 106309920

IUPAC2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol
SMILESCc1nnc(CNCCCOCCO)o1
InChIInChI=1S/C9H17N3O3/c1-8-11-12-9(15-8)7-10-3-2-5-14-6-4-13/h10,13H,2-7H2,1H3
InChIKeyIOZNXMGTDYBPDW-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.13
Rot. Bonds8

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

2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol (PubChem CID 106309920) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol
PubChem CID106309920
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol
SMILESCc1nnc(CNCCCOCCO)o1
InChIInChI=1S/C9H17N3O3/c1-8-11-12-9(15-8)7-10-3-2-5-14-6-4-13/h10,13H,2-7H2,1H3
InChIKeyIOZNXMGTDYBPDW-UHFFFAOYSA-N
XLogP-0.13
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propan-1-ol
CID 103604755
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide
CID 106237182
4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pentan-1-amine
CID 107914431
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine
CID 114783024
3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 106010660
2-[3-[(3,5-dimethylphenyl)methylamino]propoxy]ethanol
CID 103992424
N-(2-methoxyethyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
CID 107914835
N-(3-ethoxypropyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967947
2-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propoxy]ethanol
CID 103992433
3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol
CID 106309635
3-butoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 115571404

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol?
The IUPAC name of 2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol (CID 106309920) is 2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol is Cc1nnc(CNCCCOCCO)o1.
What is the InChIKey of 2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol?
The InChIKey is IOZNXMGTDYBPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-8-11-12-9(15-8)7-10-3-2-5-14-6-4-13/h10,13H,2-7H2,1H3.
What are the key properties of 2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol?
2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol has a molecular weight of 215.25 g/mol, XLogP of -0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]propoxy]ethanol is sourced from PubChem (CID 106309920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).