4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine

C12H13BrN2O2 — CID 116832589

IUPAC4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2cc(Br)ccc2OC)c(C)o1
InChIInChI=1S/C12H13BrN2O2/c1-7-11(15-12(14-2)17-7)9-6-8(13)4-5-10(9)16-3/h4-6H,1-3H3,(H,14,15)
InChIKeyWRGXMJCYTQWGEF-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.46
Rot. Bonds3

About 4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine

4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine (PubChem CID 116832589) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine
PubChem CID116832589
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine
SMILESCNc1nc(-c2cc(Br)ccc2OC)c(C)o1
InChIInChI=1S/C12H13BrN2O2/c1-7-11(15-12(14-2)17-7)9-6-8(13)4-5-10(9)16-3/h4-6H,1-3H3,(H,14,15)
InChIKeyWRGXMJCYTQWGEF-UHFFFAOYSA-N
XLogP3.46
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-4,5-dimethyl-1,3-oxazole
CID 82489419
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082556
3-(5-bromo-2-methoxyphenyl)-4-methyl-1,2-oxazol-5-amine
CID 82134756
4-(4-tert-butyl-2-methylphenyl)-N,5-dimethyl-1,3-oxazol-2-amine
CID 116832630
5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine
CID 24946892
2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887531
[4-(5-bromo-2-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131866787
[2-(5-bromo-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 116887788
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82135444
4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82308864
4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
CID 115051830
5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66295402

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine?
The IUPAC name of 4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine (CID 116832589) is 4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine is CNc1nc(-c2cc(Br)ccc2OC)c(C)o1.
What is the InChIKey of 4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine?
The InChIKey is WRGXMJCYTQWGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-7-11(15-12(14-2)17-7)9-6-8(13)4-5-10(9)16-3/h4-6H,1-3H3,(H,14,15).
What are the key properties of 4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine?
4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine has a molecular weight of 297.15 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxyphenyl)-N,5-dimethyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116832589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).