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

C11H11BrN2O2 — CID 117454876

IUPAC4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(C)c(-c2cnoc2N)c1Br
InChIInChI=1S/C11H11BrN2O2/c1-6-3-4-8(15-2)10(12)9(6)7-5-14-16-11(7)13/h3-5H,13H2,1-2H3
InChIKeyAHDNEROIVXMKKC-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.00
Rot. Bonds2

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

4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117454876) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117454876
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(C)c(-c2cnoc2N)c1Br
InChIInChI=1S/C11H11BrN2O2/c1-6-3-4-8(15-2)10(12)9(6)7-5-14-16-11(7)13/h3-5H,13H2,1-2H3
InChIKeyAHDNEROIVXMKKC-UHFFFAOYSA-N
XLogP3.00
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117349779
4-(2-methoxynaphthalen-1-yl)-1,2-oxazol-5-amine
CID 117353085
4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117480762
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477
5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117453081
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine
CID 83548488
4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117493833
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117425199
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983
4-(2,4-dimethoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117410390

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine (CID 117454876) is 4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine is COc1ccc(C)c(-c2cnoc2N)c1Br.
What is the InChIKey of 4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is AHDNEROIVXMKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-6-3-4-8(15-2)10(12)9(6)7-5-14-16-11(7)13/h3-5H,13H2,1-2H3.
What are the key properties of 4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine?
4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 283.12 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117454876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).