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

C12H21N3O3 — CID 79657503

IUPAC3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCCCN1CCOC(c2noc(CCCO)n2)C1
InChIInChI=1S/C12H21N3O3/c1-2-5-15-6-8-17-10(9-15)12-13-11(18-14-12)4-3-7-16/h10,16H,2-9H2,1H3
InChIKeyVAFUSNYBNQNMHE-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.78
Rot. Bonds6

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

3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 79657503) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID79657503
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCCCN1CCOC(c2noc(CCCO)n2)C1
InChIInChI=1S/C12H21N3O3/c1-2-5-15-6-8-17-10(9-15)12-13-11(18-14-12)4-3-7-16/h10,16H,2-9H2,1H3
InChIKeyVAFUSNYBNQNMHE-UHFFFAOYSA-N
XLogP0.78
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 79657503) is 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol is CCCN1CCOC(c2noc(CCCO)n2)C1.
What is the InChIKey of 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is VAFUSNYBNQNMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-2-5-15-6-8-17-10(9-15)12-13-11(18-14-12)4-3-7-16/h10,16H,2-9H2,1H3.
What are the key properties of 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 79657503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).