4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine

C18H19N3O3 — CID 155549867

IUPAC4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
SMILESC=c1occc1=C1N=C(c2cccc(CN3CCOCC3)c2)NO1
InChIInChI=1S/C18H19N3O3/c1-13-16(5-8-23-13)18-19-17(20-24-18)15-4-2-3-14(11-15)12-21-6-9-22-10-7-21/h2-5,8,11H,1,6-7,9-10,12H2,(H,19,20)
InChIKeyOISOXKIJKZUONJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.57
Rot. Bonds3

About 4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine

4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine (PubChem CID 155549867) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
PubChem CID155549867
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
SMILESC=c1occc1=C1N=C(c2cccc(CN3CCOCC3)c2)NO1
InChIInChI=1S/C18H19N3O3/c1-13-16(5-8-23-13)18-19-17(20-24-18)15-4-2-3-14(11-15)12-21-6-9-22-10-7-21/h2-5,8,11H,1,6-7,9-10,12H2,(H,19,20)
InChIKeyOISOXKIJKZUONJ-UHFFFAOYSA-N
XLogP0.57
TPSA59.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine (CID 155549867) is 4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine is C=c1occc1=C1N=C(c2cccc(CN3CCOCC3)c2)NO1.
What is the InChIKey of 4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
The InChIKey is OISOXKIJKZUONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-16(5-8-23-13)18-19-17(20-24-18)15-4-2-3-14(11-15)12-21-6-9-22-10-7-21/h2-5,8,11H,1,6-7,9-10,12H2,(H,19,20).
What are the key properties of 4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine?
4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine has a molecular weight of 325.37 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-(2-methylidenefuran-3-ylidene)-2H-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 155549867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).