2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol

C11H22N4O3 — CID 106960024

IUPAC2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol
SMILESCOCCNCc1nnc(N(CCO)C(C)C)o1
InChIInChI=1S/C11H22N4O3/c1-9(2)15(5-6-16)11-14-13-10(18-11)8-12-4-7-17-3/h9,12,16H,4-8H2,1-3H3
InChIKeyVWCMUCOYXNDNNB-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.01
Rot. Bonds9

About 2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol

2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol (PubChem CID 106960024) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol
PubChem CID106960024
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol
SMILESCOCCNCc1nnc(N(CCO)C(C)C)o1
InChIInChI=1S/C11H22N4O3/c1-9(2)15(5-6-16)11-14-13-10(18-11)8-12-4-7-17-3/h9,12,16H,4-8H2,1-3H3
InChIKeyVWCMUCOYXNDNNB-UHFFFAOYSA-N
XLogP0.01
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 106967784
2-[2-methoxyethyl-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106964675
5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol
CID 107207682
2-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-pentan-3-ylamino]ethanol
CID 106959307
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964246
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966919
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970430
N-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968636
5-[(2-methoxyethylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106969915
2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol
CID 103436921
2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970585
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106961211

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol (CID 106960024) is 2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol is COCCNCc1nnc(N(CCO)C(C)C)o1.
What is the InChIKey of 2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol?
The InChIKey is VWCMUCOYXNDNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-9(2)15(5-6-16)11-14-13-10(18-11)8-12-4-7-17-3/h9,12,16H,4-8H2,1-3H3.
What are the key properties of 2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol?
2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol has a molecular weight of 258.32 g/mol, XLogP of 0.01, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 106960024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).