3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C15H27N3O3 — CID 79664685

IUPAC3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCCN1CCOC(c2noc(CC(O)C(C)(C)C)n2)C1
InChIInChI=1S/C15H27N3O3/c1-5-6-18-7-8-20-11(10-18)14-16-13(21-17-14)9-12(19)15(2,3)4/h11-12,19H,5-10H2,1-4H3
InChIKeyFMHBYANUTKQMIA-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.80
Rot. Bonds5

About 3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol

3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 79664685) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID79664685
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCCCN1CCOC(c2noc(CC(O)C(C)(C)C)n2)C1
InChIInChI=1S/C15H27N3O3/c1-5-6-18-7-8-20-11(10-18)14-16-13(21-17-14)9-12(19)15(2,3)4/h11-12,19H,5-10H2,1-4H3
InChIKeyFMHBYANUTKQMIA-UHFFFAOYSA-N
XLogP1.80
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 79664685) is 3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CCCN1CCOC(c2noc(CC(O)C(C)(C)C)n2)C1.
What is the InChIKey of 3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is FMHBYANUTKQMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-5-6-18-7-8-20-11(10-18)14-16-13(21-17-14)9-12(19)15(2,3)4/h11-12,19H,5-10H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 79664685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).