4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine

C11H11BrN2O3 — CID 79555964

IUPAC4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cccc(OC)c1-c1onc(N)c1Br
InChIInChI=1S/C11H11BrN2O3/c1-15-6-4-3-5-7(16-2)8(6)10-9(12)11(13)14-17-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyHZPKEDUODJNKFW-UHFFFAOYSA-N
MW299.12 g/mol
LogP2.70
Rot. Bonds3

About 4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine

4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 79555964) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
PubChem CID79555964
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cccc(OC)c1-c1onc(N)c1Br
InChIInChI=1S/C11H11BrN2O3/c1-15-6-4-3-5-7(16-2)8(6)10-9(12)11(13)14-17-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyHZPKEDUODJNKFW-UHFFFAOYSA-N
XLogP2.70
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 79557639
3-(2,6-dimethoxyphenyl)-4-methyl-1,2-oxazol-5-amine
CID 43158389
5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411476
4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine
CID 79555784
4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 79556610
4-bromo-5-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-3-amine
CID 79555618
2-bromo-1,3-bis(2,6-dimethoxyphenyl)benzene
CID 51042386
5-(4-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198769
5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66199764
4-(3-bromophenyl)-5-(3-methoxy-4-pyridinyl)-1,2-oxazol-3-amine
CID 105064768
4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200367
3-chloro-5-(2,6-dimethoxyphenyl)-1,2,4-oxadiazole
CID 112571983

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine (CID 79555964) is 4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine is COc1cccc(OC)c1-c1onc(N)c1Br.
What is the InChIKey of 4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is HZPKEDUODJNKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-15-6-4-3-5-7(16-2)8(6)10-9(12)11(13)14-17-10/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine?
4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 299.12 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79555964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).