[5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol

C13H24N4O3 — CID 106963375

IUPAC[5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol
SMILESCC(C)CNCc1nnc(N2CC(CO)OCC2C)o1
InChIInChI=1S/C13H24N4O3/c1-9(2)4-14-5-12-15-16-13(20-12)17-6-11(7-18)19-8-10(17)3/h9-11,14,18H,4-8H2,1-3H3
InChIKeyADABHSOLMPNPPG-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.40
Rot. Bonds6

About [5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol

[5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol (PubChem CID 106963375) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is [5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol
PubChem CID106963375
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name[5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol
SMILESCC(C)CNCc1nnc(N2CC(CO)OCC2C)o1
InChIInChI=1S/C13H24N4O3/c1-9(2)4-14-5-12-15-16-13(20-12)17-6-11(7-18)19-8-10(17)3/h9-11,14,18H,4-8H2,1-3H3
InChIKeyADABHSOLMPNPPG-UHFFFAOYSA-N
XLogP0.40
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol
CID 106958218
1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol
CID 106967389
N-[[5-(3,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106965328
2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106961278
N-[[5-(3-ethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106964439
2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106962739
2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106965895
N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106968181
[4-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-5-methylmorpholin-2-yl]methanol
CID 81212705
N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106962939
4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione
CID 106962540
N-[[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106965552

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol (CID 106963375) is [5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol is CC(C)CNCc1nnc(N2CC(CO)OCC2C)o1.
What is the InChIKey of [5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol?
The InChIKey is ADABHSOLMPNPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-9(2)4-14-5-12-15-16-13(20-12)17-6-11(7-18)19-8-10(17)3/h9-11,14,18H,4-8H2,1-3H3.
What are the key properties of [5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol?
[5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol has a molecular weight of 284.36 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 106963375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).