2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol

C14H17N3O4 — CID 136904167

IUPAC2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
SMILESCCN1CCOC(c2noc(-c3cc(O)ccc3O)n2)C1
InChIInChI=1S/C14H17N3O4/c1-2-17-5-6-20-12(8-17)13-15-14(21-16-13)10-7-9(18)3-4-11(10)19/h3-4,7,12,18-19H,2,5-6,8H2,1H3
InChIKeyDVLKTOVXIIPYPJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.54
Rot. Bonds3

About 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol

2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol (PubChem CID 136904167) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
PubChem CID136904167
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
SMILESCCN1CCOC(c2noc(-c3cc(O)ccc3O)n2)C1
InChIInChI=1S/C14H17N3O4/c1-2-17-5-6-20-12(8-17)13-15-14(21-16-13)10-7-9(18)3-4-11(10)19/h3-4,7,12,18-19H,2,5-6,8H2,1H3
InChIKeyDVLKTOVXIIPYPJ-UHFFFAOYSA-N
XLogP1.54
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665313
5-bromo-2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665321
[3-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 79665327
2-bromo-4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79665076
[4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324970
4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525764
3-[[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 79665325
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104677235
4-[(2S)-4-ethylmorpholin-2-yl]phenol
CID 71422679
3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 79086384
2-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 82831065
[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 79663048

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
The IUPAC name of 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol (CID 136904167) is 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol.
What is the SMILES notation for 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
The canonical SMILES for 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol is CCN1CCOC(c2noc(-c3cc(O)ccc3O)n2)C1.
What is the InChIKey of 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
The InChIKey is DVLKTOVXIIPYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-2-17-5-6-20-12(8-17)13-15-14(21-16-13)10-7-9(18)3-4-11(10)19/h3-4,7,12,18-19H,2,5-6,8H2,1H3.
What are the key properties of 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol?
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol has a molecular weight of 291.31 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol is sourced from PubChem (CID 136904167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).