2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine

C11H13N3O3 — CID 104788838

IUPAC2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCc1occc1-c1noc(C2CNCCO2)n1
InChIInChI=1S/C11H13N3O3/c1-7-8(2-4-15-7)10-13-11(17-14-10)9-6-12-3-5-16-9/h2,4,9,12H,3,5-6H2,1H3
InChIKeyZOGWLPPUAMOVDQ-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.30
Rot. Bonds2

About 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine

2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine (PubChem CID 104788838) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine.

Molecular Properties

Compound Name2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine
PubChem CID104788838
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine
SMILESCc1occc1-c1noc(C2CNCCO2)n1
InChIInChI=1S/C11H13N3O3/c1-7-8(2-4-15-7)10-13-11(17-14-10)9-6-12-3-5-16-9/h2,4,9,12H,3,5-6H2,1H3
InChIKeyZOGWLPPUAMOVDQ-UHFFFAOYSA-N
XLogP1.30
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120833777
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 113329298
2-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 62716226
(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120833718
(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835102
(2S)-2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120836734
4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135991810
(2R)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120838766
(2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120838767
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 104790960
5-(azepan-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 113453222
(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835614

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine?
The IUPAC name of 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine (CID 104788838) is 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine.
What is the SMILES notation for 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine?
The canonical SMILES for 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine is Cc1occc1-c1noc(C2CNCCO2)n1.
What is the InChIKey of 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine?
The InChIKey is ZOGWLPPUAMOVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-8(2-4-15-7)10-13-11(17-14-10)9-6-12-3-5-16-9/h2,4,9,12H,3,5-6H2,1H3.
What are the key properties of 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine?
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine has a molecular weight of 235.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine is sourced from PubChem (CID 104788838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).