4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol

C12H13N3O3 — CID 135991810

IUPAC4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol
SMILESOc1ccc(-c2noc(C3CNCCO3)n2)cc1
InChIInChI=1S/C12H13N3O3/c16-9-3-1-8(2-4-9)11-14-12(18-15-11)10-7-13-5-6-17-10/h1-4,10,13,16H,5-7H2
InChIKeySNDKQGLNZZEIFP-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.10
Rot. Bonds2

About 4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol

4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol (PubChem CID 135991810) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol.

Molecular Properties

Compound Name4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol
PubChem CID135991810
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol
SMILESOc1ccc(-c2noc(C3CNCCO3)n2)cc1
InChIInChI=1S/C12H13N3O3/c16-9-3-1-8(2-4-9)11-14-12(18-15-11)10-7-13-5-6-17-10/h1-4,10,13,16H,5-7H2
InChIKeySNDKQGLNZZEIFP-UHFFFAOYSA-N
XLogP1.10
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120833777
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
(2R)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120838766
(2R)-2-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120840650
(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120836949
(2R)-2-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120892309
(2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120838767
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120835896
(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120836734
2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]morpholine
CID 77152123
2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 62716226
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 104788838

Frequently Asked Questions

What is the IUPAC name of 4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol?
The IUPAC name of 4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol (CID 135991810) is 4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol.
What is the SMILES notation for 4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol?
The canonical SMILES for 4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol is Oc1ccc(-c2noc(C3CNCCO3)n2)cc1.
What is the InChIKey of 4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol?
The InChIKey is SNDKQGLNZZEIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-9-3-1-8(2-4-9)11-14-12(18-15-11)10-7-13-5-6-17-10/h1-4,10,13,16H,5-7H2.
What are the key properties of 4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol?
4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol has a molecular weight of 247.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol is sourced from PubChem (CID 135991810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).