1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol

C12H23N3O3 — CID 106399294

IUPAC1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol
SMILESCC(C)CC(C)OCC(O)CNCc1ncon1
InChIInChI=1S/C12H23N3O3/c1-9(2)4-10(3)17-7-11(16)5-13-6-12-14-8-18-15-12/h8-11,13,16H,4-7H2,1-3H3
InChIKeyDXQJWJVJCYXVJT-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.97
Rot. Bonds9

About 1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol

1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol (PubChem CID 106399294) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol
PubChem CID106399294
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol
SMILESCC(C)CC(C)OCC(O)CNCc1ncon1
InChIInChI=1S/C12H23N3O3/c1-9(2)4-10(3)17-7-11(16)5-13-6-12-14-8-18-15-12/h8-11,13,16H,4-7H2,1-3H3
InChIKeyDXQJWJVJCYXVJT-UHFFFAOYSA-N
XLogP0.97
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylpentan-2-yloxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 63302466
2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 106398580
N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine
CID 106398904
1-(4-methylpentan-2-yloxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 60970362
1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349844
1-(4-methylpentan-2-yloxy)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760276
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 62990076
2-[2-hydroxy-3-(1,2,4-oxadiazol-3-ylmethylamino)propoxy]benzonitrile
CID 106399300
1-(4-methylpentan-2-yloxy)-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
CID 112726263
4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol
CID 113376237
1-(3,3-dimethylbutylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 115581046
3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide
CID 54938438

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol (CID 106399294) is 1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol is CC(C)CC(C)OCC(O)CNCc1ncon1.
What is the InChIKey of 1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol?
The InChIKey is DXQJWJVJCYXVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(2)4-10(3)17-7-11(16)5-13-6-12-14-8-18-15-12/h8-11,13,16H,4-7H2,1-3H3.
What are the key properties of 1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol?
1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol has a molecular weight of 257.33 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 106399294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).