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

C11H12BrN3O3 — CID 29230739

IUPAC4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
SMILESBrc1ccc(-c2nnc(CN3CCOCC3)o2)o1
InChIInChI=1S/C11H12BrN3O3/c12-9-2-1-8(17-9)11-14-13-10(18-11)7-15-3-5-16-6-4-15/h1-2H,3-7H2
InChIKeyPDAGCYNQGZIWSN-UHFFFAOYSA-N
MW314.14 g/mol
LogP1.92
Rot. Bonds3

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

4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine (PubChem CID 29230739) has the molecular formula C11H12BrN3O3 and a molecular weight of 314.14 g/mol. Its IUPAC name is 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
PubChem CID29230739
Molecular FormulaC11H12BrN3O3
Molecular Weight314.14 g/mol
Exact Mass313.01
IUPAC Name4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
SMILESBrc1ccc(-c2nnc(CN3CCOCC3)o2)o1
InChIInChI=1S/C11H12BrN3O3/c12-9-2-1-8(17-9)11-14-13-10(18-11)7-15-3-5-16-6-4-15/h1-2H,3-7H2
InChIKeyPDAGCYNQGZIWSN-UHFFFAOYSA-N
XLogP1.92
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine (CID 29230739) is 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine is Brc1ccc(-c2nnc(CN3CCOCC3)o2)o1.
What is the InChIKey of 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
The InChIKey is PDAGCYNQGZIWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3/c12-9-2-1-8(17-9)11-14-13-10(18-11)7-15-3-5-16-6-4-15/h1-2H,3-7H2.
What are the key properties of 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine?
4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine has a molecular weight of 314.14 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine is sourced from PubChem (CID 29230739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).