2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

C13H11BrN2O3 — CID 25072054

IUPAC2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1ccn2c(n1)OC(COc1ccc(Br)cc1)C2
InChIInChI=1S/C13H11BrN2O3/c14-9-1-3-10(4-2-9)18-8-11-7-16-6-5-12(17)15-13(16)19-11/h1-6,11H,7-8H2
InChIKeyXJEZNTUCGFUKFG-UHFFFAOYSA-N
MW323.15 g/mol
LogP1.85
Rot. Bonds3

About 2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one

2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (PubChem CID 25072054) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
PubChem CID25072054
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one
SMILESO=c1ccn2c(n1)OC(COc1ccc(Br)cc1)C2
InChIInChI=1S/C13H11BrN2O3/c14-9-1-3-10(4-2-9)18-8-11-7-16-6-5-12(17)15-13(16)19-11/h1-6,11H,7-8H2
InChIKeyXJEZNTUCGFUKFG-UHFFFAOYSA-N
XLogP1.85
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one (CID 25072054) is 2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is O=c1ccn2c(n1)OC(COc1ccc(Br)cc1)C2.
What is the InChIKey of 2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
The InChIKey is XJEZNTUCGFUKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c14-9-1-3-10(4-2-9)18-8-11-7-16-6-5-12(17)15-13(16)19-11/h1-6,11H,7-8H2.
What are the key properties of 2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one?
2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one has a molecular weight of 323.15 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenoxy)methyl]-2,3-dihydro-[1,3]oxazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 25072054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).