3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine

C11H21N3O2 — CID 62589702

IUPAC3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1nnc(CCOC)o1
InChIInChI=1S/C11H21N3O2/c1-3-7-12-8-4-5-10-13-14-11(16-10)6-9-15-2/h12H,3-9H2,1-2H3
InChIKeyJOBOIGATKJXULE-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.19
Rot. Bonds9

About 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine

3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 62589702) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID62589702
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1nnc(CCOC)o1
InChIInChI=1S/C11H21N3O2/c1-3-7-12-8-4-5-10-13-14-11(16-10)6-9-15-2/h12H,3-9H2,1-2H3
InChIKeyJOBOIGATKJXULE-UHFFFAOYSA-N
XLogP1.19
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 103022428
3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62589148
N-[(5-heptyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62137386
2-(2-chloroethyl)-5-(2-methoxyethyl)-1,3,4-oxadiazole
CID 62588931
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138559
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62162393
N-propyl-3-[5-(thiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65215590
3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 82800202
3-[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107183207
N-propyl-3-(5-pyridazin-4-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 104672330
[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]arsane
CID 173259055
2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole
CID 114771639

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 62589702) is 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNCCCc1nnc(CCOC)o1.
What is the InChIKey of 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is JOBOIGATKJXULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-7-12-8-4-5-10-13-14-11(16-10)6-9-15-2/h12H,3-9H2,1-2H3.
What are the key properties of 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 1.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 62589702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).