3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol

C11H22N4O2 — CID 106960095

IUPAC3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol
SMILESCNC(C)c1nnc(N(CCCO)C(C)C)o1
InChIInChI=1S/C11H22N4O2/c1-8(2)15(6-5-7-16)11-14-13-10(17-11)9(3)12-4/h8-9,12,16H,5-7H2,1-4H3
InChIKeyCQIVODLEYPWRTD-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.95
Rot. Bonds7

About 3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol

3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol (PubChem CID 106960095) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol
PubChem CID106960095
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol
SMILESCNC(C)c1nnc(N(CCCO)C(C)C)o1
InChIInChI=1S/C11H22N4O2/c1-8(2)15(6-5-7-16)11-14-13-10(17-11)9(3)12-4/h8-9,12,16H,5-7H2,1-4H3
InChIKeyCQIVODLEYPWRTD-UHFFFAOYSA-N
XLogP0.95
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol with MolForge

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Related Compounds

4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol
CID 106965470
1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol
CID 106962897
2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol
CID 103436921
N-cyclopropyl-5-[1-(methylamino)ethyl]-N-propyl-1,3,4-oxadiazol-2-amine
CID 106968720
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]acetamide
CID 106970777
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-methylamino]ethanol
CID 106969645
3-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]propan-1-ol
CID 106958613
N,N-diethyl-2-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106959465
N-methyl-5-[1-(methylamino)ethyl]-N-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969340
3-[(5-fluoro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61314147
N-[(2-bromophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970746
2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol
CID 106960024

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol (CID 106960095) is 3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol is CNC(C)c1nnc(N(CCCO)C(C)C)o1.
What is the InChIKey of 3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol?
The InChIKey is CQIVODLEYPWRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-8(2)15(6-5-7-16)11-14-13-10(17-11)9(3)12-4/h8-9,12,16H,5-7H2,1-4H3.
What are the key properties of 3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol?
3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 106960095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).