3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol

C13H15N3O3 — CID 79086384

IUPAC3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN1CCOC(c2noc(-c3cccc(O)c3)n2)C1
InChIInChI=1S/C13H15N3O3/c1-16-5-6-18-11(8-16)12-14-13(19-15-12)9-3-2-4-10(17)7-9/h2-4,7,11,17H,5-6,8H2,1H3
InChIKeyBCKQASFEZCPXBT-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.45
Rot. Bonds2

About 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol

3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 79086384) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID79086384
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN1CCOC(c2noc(-c3cccc(O)c3)n2)C1
InChIInChI=1S/C13H15N3O3/c1-16-5-6-18-11(8-16)12-14-13(19-15-12)9-3-2-4-10(17)7-9/h2-4,7,11,17H,5-6,8H2,1H3
InChIKeyBCKQASFEZCPXBT-UHFFFAOYSA-N
XLogP1.45
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1-Methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 135567363
3-(3-Methyl-1,2,4-oxadiazol-5-yl)phenol
CID 29893097
2-(3-{3-[(1-Methylpiperidin-4-YL)methyl]-1,2,4-oxadiazol-5-YL}phenoxy)acetamide
CID 56708602
1-{3-[3-(3-Methyl-1,2,4-oxadiazol-5-YL)phenoxy]azetidin-1-YL}-2-phenylethan-1-one
CID 91905505
US20250011311, Example 45
CID 170354978
US20250011311, Example 47
CID 170355003
US20250011311, Example 49
CID 170355014
US20250011311, Example 51
CID 170355017
US20250011311, Example 87
CID 170355018
US20250011311, Example 44
CID 170355026
US20250011311, Example 53
CID 170355036
US20250011311, Example 52
CID 170355040

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 79086384) is 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol is CN1CCOC(c2noc(-c3cccc(O)c3)n2)C1.
What is the InChIKey of 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is BCKQASFEZCPXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16-5-6-18-11(8-16)12-14-13(19-15-12)9-3-2-4-10(17)7-9/h2-4,7,11,17H,5-6,8H2,1H3.
What are the key properties of 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 261.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 79086384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).