4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine

C8H11BrN2O2 — CID 59304972

IUPAC4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine
SMILESBrc1ncc(CN2CCOCC2)o1
InChIInChI=1S/C8H11BrN2O2/c9-8-10-5-7(13-8)6-11-1-3-12-4-2-11/h5H,1-4,6H2
InChIKeyAIPPIOYONATJPM-UHFFFAOYSA-N
MW247.09 g/mol
LogP1.27
Rot. Bonds2

About 4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine

4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine (PubChem CID 59304972) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine
PubChem CID59304972
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine
SMILESBrc1ncc(CN2CCOCC2)o1
InChIInChI=1S/C8H11BrN2O2/c9-8-10-5-7(13-8)6-11-1-3-12-4-2-11/h5H,1-4,6H2
InChIKeyAIPPIOYONATJPM-UHFFFAOYSA-N
XLogP1.27
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine?
The IUPAC name of 4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine (CID 59304972) is 4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine is Brc1ncc(CN2CCOCC2)o1.
What is the InChIKey of 4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine?
The InChIKey is AIPPIOYONATJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c9-8-10-5-7(13-8)6-11-1-3-12-4-2-11/h5H,1-4,6H2.
What are the key properties of 4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine?
4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine has a molecular weight of 247.09 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-1,3-oxazol-5-yl)methyl]morpholine is sourced from PubChem (CID 59304972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).