5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol

C12H24N4O3 — CID 107207682

IUPAC5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol
SMILESCOCCNCc1nnc(N(C)CCCCCO)o1
InChIInChI=1S/C12H24N4O3/c1-16(7-4-3-5-8-17)12-15-14-11(19-12)10-13-6-9-18-2/h13,17H,3-10H2,1-2H3
InChIKeyYFXXGADBMGTYHU-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.40
Rot. Bonds11

About 5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol

5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol (PubChem CID 107207682) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol
PubChem CID107207682
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol
SMILESCOCCNCc1nnc(N(C)CCCCCO)o1
InChIInChI=1S/C12H24N4O3/c1-16(7-4-3-5-8-17)12-15-14-11(19-12)10-13-6-9-18-2/h13,17H,3-10H2,1-2H3
InChIKeyYFXXGADBMGTYHU-UHFFFAOYSA-N
XLogP0.40
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol with MolForge

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Related Compounds

2-[2-methoxyethyl-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106964675
5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 106967784
2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol
CID 106960024
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106961211
N-butyl-5-(ethylaminomethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106966149
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966919
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964246
5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol
CID 107207671
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
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970430
2-[propyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106970585

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol?
The IUPAC name of 5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol (CID 107207682) is 5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol is COCCNCc1nnc(N(C)CCCCCO)o1.
What is the InChIKey of 5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol?
The InChIKey is YFXXGADBMGTYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-16(7-4-3-5-8-17)12-15-14-11(19-12)10-13-6-9-18-2/h13,17H,3-10H2,1-2H3.
What are the key properties of 5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol?
5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 0.40, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol is sourced from PubChem (CID 107207682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).