3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine

C12H13BrN2O3 — CID 117498173

IUPAC3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(C)cc(-c2cc(N)on2)c(OC)c1Br
InChIInChI=1S/C12H13BrN2O3/c1-6-4-7(8-5-9(14)18-15-8)12(17-3)10(13)11(6)16-2/h4-5H,14H2,1-3H3
InChIKeyVDJCBBOGDSACTN-UHFFFAOYSA-N
MW313.15 g/mol
LogP3.01
Rot. Bonds3

About 3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine

3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117498173) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117498173
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(C)cc(-c2cc(N)on2)c(OC)c1Br
InChIInChI=1S/C12H13BrN2O3/c1-6-4-7(8-5-9(14)18-15-8)12(17-3)10(13)11(6)16-2/h4-5H,14H2,1-3H3
InChIKeyVDJCBBOGDSACTN-UHFFFAOYSA-N
XLogP3.01
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
3-(3-bromo-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454864
3-(2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117340291
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117405269
3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454853
3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117496000
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389651
3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 115112351
3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117434268
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117493897

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine (CID 117498173) is 3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine is COc1c(C)cc(-c2cc(N)on2)c(OC)c1Br.
What is the InChIKey of 3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is VDJCBBOGDSACTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c1-6-4-7(8-5-9(14)18-15-8)12(17-3)10(13)11(6)16-2/h4-5H,14H2,1-3H3.
What are the key properties of 3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine?
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 313.15 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117498173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).