2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol

C11H22N4O2 — CID 106970585

IUPAC2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
SMILESCCCNCc1nnc(N(CCC)CCO)o1
InChIInChI=1S/C11H22N4O2/c1-3-5-12-9-10-13-14-11(17-10)15(6-4-2)7-8-16/h12,16H,3-9H2,1-2H3
InChIKeyILVRYPUHBCYJHV-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.78
Rot. Bonds9

About 2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol

2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol (PubChem CID 106970585) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
PubChem CID106970585
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
SMILESCCCNCc1nnc(N(CCC)CCO)o1
InChIInChI=1S/C11H22N4O2/c1-3-5-12-9-10-13-14-11(17-10)15(6-4-2)7-8-16/h12,16H,3-9H2,1-2H3
InChIKeyILVRYPUHBCYJHV-UHFFFAOYSA-N
XLogP0.78
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.78
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

2-[butyl-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970325
2-[2-methoxyethyl-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106964675
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106969630
2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106970609
5-[(2-methoxyethylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106969915
2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol
CID 106959307
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106969622
N-(2,2-difluoroethyl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106965364
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106956824
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966919
5-(2-aminoethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine
CID 106967806
N,N-dimethyl-2-[[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide
CID 106960123

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol?
The IUPAC name of 2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol (CID 106970585) is 2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol is CCCNCc1nnc(N(CCC)CCO)o1.
What is the InChIKey of 2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol?
The InChIKey is ILVRYPUHBCYJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-3-5-12-9-10-13-14-11(17-10)15(6-4-2)7-8-16/h12,16H,3-9H2,1-2H3.
What are the key properties of 2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol?
2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol has a molecular weight of 242.32 g/mol, XLogP of 0.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol is sourced from PubChem (CID 106970585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).