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

C10H15BrN2O2 — CID 130877507

IUPAC4-[(3-bromo-1,2-oxazol-5-yl)methyl]-2,3-dimethylmorpholine
SMILESCC1OCCN(Cc2cc(Br)no2)C1C
InChIInChI=1S/C10H15BrN2O2/c1-7-8(2)14-4-3-13(7)6-9-5-10(11)12-15-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyLDDQINMAYVJOGC-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.05
Rot. Bonds2

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

4-[(3-bromo-1,2-oxazol-5-yl)methyl]-2,3-dimethylmorpholine (PubChem CID 130877507) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-[(3-bromo-1,2-oxazol-5-yl)methyl]-2,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[(3-bromo-1,2-oxazol-5-yl)methyl]-2,3-dimethylmorpholine
PubChem CID130877507
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name4-[(3-bromo-1,2-oxazol-5-yl)methyl]-2,3-dimethylmorpholine
SMILESCC1OCCN(Cc2cc(Br)no2)C1C
InChIInChI=1S/C10H15BrN2O2/c1-7-8(2)14-4-3-13(7)6-9-5-10(11)12-15-9/h5,7-8H,3-4,6H2,1-2H3
InChIKeyLDDQINMAYVJOGC-UHFFFAOYSA-N
XLogP2.05
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-1,2-oxazol-5-yl)methyl]-2,3-dimethylmorpholine?
The IUPAC name of 4-[(3-bromo-1,2-oxazol-5-yl)methyl]-2,3-dimethylmorpholine (CID 130877507) is 4-[(3-bromo-1,2-oxazol-5-yl)methyl]-2,3-dimethylmorpholine.
What is the SMILES notation for 4-[(3-bromo-1,2-oxazol-5-yl)methyl]-2,3-dimethylmorpholine?
The canonical SMILES for 4-[(3-bromo-1,2-oxazol-5-yl)methyl]-2,3-dimethylmorpholine is CC1OCCN(Cc2cc(Br)no2)C1C.
What is the InChIKey of 4-[(3-bromo-1,2-oxazol-5-yl)methyl]-2,3-dimethylmorpholine?
The InChIKey is LDDQINMAYVJOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-7-8(2)14-4-3-13(7)6-9-5-10(11)12-15-9/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 4-[(3-bromo-1,2-oxazol-5-yl)methyl]-2,3-dimethylmorpholine?
4-[(3-bromo-1,2-oxazol-5-yl)methyl]-2,3-dimethylmorpholine has a molecular weight of 275.15 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-1,2-oxazol-5-yl)methyl]-2,3-dimethylmorpholine is sourced from PubChem (CID 130877507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).