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

C11H22N4O2 — CID 106962897

IUPAC1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nnc(C(C)NC)o1
InChIInChI=1S/C11H22N4O2/c1-6-15(7-11(3,4)16)10-14-13-9(17-10)8(2)12-5/h8,12,16H,6-7H2,1-5H3
InChIKeyHDVNAJVRZASANP-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.95
Rot. Bonds6

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

1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol (PubChem CID 106962897) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol
PubChem CID106962897
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nnc(C(C)NC)o1
InChIInChI=1S/C11H22N4O2/c1-6-15(7-11(3,4)16)10-14-13-9(17-10)8(2)12-5/h8,12,16H,6-7H2,1-5H3
InChIKeyHDVNAJVRZASANP-UHFFFAOYSA-N
XLogP0.95
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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

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Related Compounds

3-[[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]propan-1-ol
CID 106960095
N,N-diethyl-2-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106959465
4-[methyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]butan-2-ol
CID 106965470
2-[ethyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide
CID 106971179
N-cyclopropyl-5-[1-(methylamino)ethyl]-N-propyl-1,3,4-oxadiazol-2-amine
CID 106968720
2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495569
N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961960
N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967549
1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol
CID 79387948
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
5-[(tert-butylamino)methyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine
CID 106967540

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol (CID 106962897) is 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nnc(C(C)NC)o1.
What is the InChIKey of 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol?
The InChIKey is HDVNAJVRZASANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-6-15(7-11(3,4)16)10-14-13-9(17-10)8(2)12-5/h8,12,16H,6-7H2,1-5H3.
What are the key properties of 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol?
1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 106962897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).