4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine

C8H11N3O2 — CID 116805998

IUPAC4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESC=Cc1nc(N2CCOCC2)no1
InChIInChI=1S/C8H11N3O2/c1-2-7-9-8(10-13-7)11-3-5-12-6-4-11/h2H,1,3-6H2
InChIKeyMEPJRXBQDSAAMI-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.55
Rot. Bonds2

About 4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine

4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 116805998) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID116805998
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESC=Cc1nc(N2CCOCC2)no1
InChIInChI=1S/C8H11N3O2/c1-2-7-9-8(10-13-7)11-3-5-12-6-4-11/h2H,1,3-6H2
InChIKeyMEPJRXBQDSAAMI-UHFFFAOYSA-N
XLogP0.55
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 116808953
(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962
3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 116808961
2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116807451
4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 149228588
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915585
[1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 116807476
4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116807436
2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807415
1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 116807359
4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 116807444
2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116807469

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of 4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine (CID 116805998) is 4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for 4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for 4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine is C=Cc1nc(N2CCOCC2)no1.
What is the InChIKey of 4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is MEPJRXBQDSAAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-7-9-8(10-13-7)11-3-5-12-6-4-11/h2H,1,3-6H2.
What are the key properties of 4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine?
4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 181.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethenyl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 116805998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).