[4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol

C13H24N4O3 — CID 106965807

IUPAC[4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2nnc(CNC(C)(C)C)o2)CC(CO)O1
InChIInChI=1S/C13H24N4O3/c1-9-6-17(7-10(8-18)19-9)12-16-15-11(20-12)5-14-13(2,3)4/h9-10,14,18H,5-8H2,1-4H3
InChIKeyRGLUAJWGVRBDEP-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.54
Rot. Bonds4

About [4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol

[4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol (PubChem CID 106965807) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is [4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol
PubChem CID106965807
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name[4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2nnc(CNC(C)(C)C)o2)CC(CO)O1
InChIInChI=1S/C13H24N4O3/c1-9-6-17(7-10(8-18)19-9)12-16-15-11(20-12)5-14-13(2,3)4/h9-10,14,18H,5-8H2,1-4H3
InChIKeyRGLUAJWGVRBDEP-UHFFFAOYSA-N
XLogP0.54
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol with MolForge

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Related Compounds

1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959479
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine
CID 106965911
1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol
CID 106963185
N-[[5-(3-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106969286
2-methyl-N-[[5-[3-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106962476
2-methyl-N-[[5-(2-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106961987
N-[[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106962406
1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962753
[6-methyl-4-[5-(propylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
CID 102933644
[(2S,6S)-6-methyl-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 100653088
4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmorpholine-3-carboxamide
CID 106963772
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106965699

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol (CID 106965807) is [4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol is CC1CN(c2nnc(CNC(C)(C)C)o2)CC(CO)O1.
What is the InChIKey of [4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is RGLUAJWGVRBDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-9-6-17(7-10(8-18)19-9)12-16-15-11(20-12)5-14-13(2,3)4/h9-10,14,18H,5-8H2,1-4H3.
What are the key properties of [4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol?
[4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 284.36 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 106965807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).