4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine

C16H19N3O3 — CID 149228588

IUPAC4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESC=Cc1cc(C)c(-c2nc(N3CCOCC3)no2)cc1OC
InChIInChI=1S/C16H19N3O3/c1-4-12-9-11(2)13(10-14(12)20-3)15-17-16(18-22-15)19-5-7-21-8-6-19/h4,9-10H,1,5-8H2,2-3H3
InChIKeyXJVXUFKWOWIDAN-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.53
Rot. Bonds4

About 4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine

4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 149228588) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID149228588
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESC=Cc1cc(C)c(-c2nc(N3CCOCC3)no2)cc1OC
InChIInChI=1S/C16H19N3O3/c1-4-12-9-11(2)13(10-14(12)20-3)15-17-16(18-22-15)19-5-7-21-8-6-19/h4,9-10H,1,5-8H2,2-3H3
InChIKeyXJVXUFKWOWIDAN-UHFFFAOYSA-N
XLogP2.53
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 149228588) is 4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine is C=Cc1cc(C)c(-c2nc(N3CCOCC3)no2)cc1OC.
What is the InChIKey of 4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is XJVXUFKWOWIDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-12-9-11(2)13(10-14(12)20-3)15-17-16(18-22-15)19-5-7-21-8-6-19/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine?
4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 301.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethenyl-5-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 149228588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).