6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one

C15H11BrN4O2 — CID 83779516

IUPAC6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one
SMILESCc1nc2nc(-c3ccc4[nH]c(=O)oc4c3)cn2c(C)c1Br
InChIInChI=1S/C15H11BrN4O2/c1-7-13(16)8(2)20-6-11(18-14(20)17-7)9-3-4-10-12(5-9)22-15(21)19-10/h3-6H,1-2H3,(H,19,21)
InChIKeyIPSAUYKUAIJDJL-UHFFFAOYSA-N
MW359.18 g/mol
LogP3.21
Rot. Bonds1

About 6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one

6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one (PubChem CID 83779516) has the molecular formula C15H11BrN4O2 and a molecular weight of 359.18 g/mol. Its IUPAC name is 6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one
PubChem CID83779516
Molecular FormulaC15H11BrN4O2
Molecular Weight359.18 g/mol
Exact Mass358.01
IUPAC Name6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one
SMILESCc1nc2nc(-c3ccc4[nH]c(=O)oc4c3)cn2c(C)c1Br
InChIInChI=1S/C15H11BrN4O2/c1-7-13(16)8(2)20-6-11(18-14(20)17-7)9-3-4-10-12(5-9)22-15(21)19-10/h3-6H,1-2H3,(H,19,21)
InChIKeyIPSAUYKUAIJDJL-UHFFFAOYSA-N
XLogP3.21
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 17456976
6-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-3H-1,3-benzoxazol-2-one
CID 116893854
6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 22693688
6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116832547
6-(5-amino-6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 82068607
6-(2-methylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 116869188
3-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-pyrazole-5-carbaldehyde
CID 84761476
2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 39200811
6-[(3-bromo-4-methylphenyl)-chloromethyl]-3H-1,3-benzoxazol-2-one
CID 81476085
2,3-dimethyl-6-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39200863
6-pyridin-3-yl-3H-1,3-benzoxazol-2-one
CID 58255623
5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 116968071

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one (CID 83779516) is 6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one is Cc1nc2nc(-c3ccc4[nH]c(=O)oc4c3)cn2c(C)c1Br.
What is the InChIKey of 6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one?
The InChIKey is IPSAUYKUAIJDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O2/c1-7-13(16)8(2)20-6-11(18-14(20)17-7)9-3-4-10-12(5-9)22-15(21)19-10/h3-6H,1-2H3,(H,19,21).
What are the key properties of 6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one?
6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one has a molecular weight of 359.18 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 83779516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).