3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine

C13H15BrN2O2 — CID 117496000

IUPAC3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(-c2cc(N)on2)cc(Br)cc1C(C)C
InChIInChI=1S/C13H15BrN2O2/c1-7(2)9-4-8(14)5-10(13(9)17-3)11-6-12(15)18-16-11/h4-7H,15H2,1-3H3
InChIKeyWDCWMEIXLHPSIF-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.82
Rot. Bonds3

About 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine

3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 117496000) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine
PubChem CID117496000
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(-c2cc(N)on2)cc(Br)cc1C(C)C
InChIInChI=1S/C13H15BrN2O2/c1-7(2)9-4-8(14)5-10(13(9)17-3)11-6-12(15)18-16-11/h4-7H,15H2,1-3H3
InChIKeyWDCWMEIXLHPSIF-UHFFFAOYSA-N
XLogP3.82
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117498173
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117494952
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336518
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-(2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117340291
3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117348551
3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117434268
3-(3-bromo-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454864
3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336512

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine (CID 117496000) is 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine is COc1c(-c2cc(N)on2)cc(Br)cc1C(C)C.
What is the InChIKey of 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is WDCWMEIXLHPSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-7(2)9-4-8(14)5-10(13(9)17-3)11-6-12(15)18-16-11/h4-7H,15H2,1-3H3.
What are the key properties of 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine?
3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 311.18 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117496000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).