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

C7H14N4O2 — CID 106969622

IUPAC2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1nnc(CN)o1
InChIInChI=1S/C7H14N4O2/c1-2-11(3-4-12)7-10-9-6(5-8)13-7/h12H,2-5,8H2,1H3
InChIKeyANFMZIGWSHWCCZ-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.65
Rot. Bonds5

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

2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol (PubChem CID 106969622) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
PubChem CID106969622
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1nnc(CN)o1
InChIInChI=1S/C7H14N4O2/c1-2-11(3-4-12)7-10-9-6(5-8)13-7/h12H,2-5,8H2,1H3
InChIKeyANFMZIGWSHWCCZ-UHFFFAOYSA-N
XLogP-0.65
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106956824
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107495563
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106969630
3-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]propan-1-ol
CID 106958612
2-[butyl-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970325
2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970585
5-(2-aminoethyl)-N,N-dipropyl-1,3,4-oxadiazol-2-amine
CID 106967806
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
3-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]propan-1-ol
CID 106958613
2-[2-methoxyethyl-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106964675
5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine
CID 106967540
N-ethyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970932

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol (CID 106969622) is 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol is CCN(CCO)c1nnc(CN)o1.
What is the InChIKey of 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol?
The InChIKey is ANFMZIGWSHWCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-2-11(3-4-12)7-10-9-6(5-8)13-7/h12H,2-5,8H2,1H3.
What are the key properties of 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol?
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol has a molecular weight of 186.21 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol is sourced from PubChem (CID 106969622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).