4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine

C13H15BrN2O2 — CID 117496003

IUPAC4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(Br)cc(-c2cnoc2N)c1C(C)C
InChIInChI=1S/C13H15BrN2O2/c1-7(2)12-9(10-6-16-18-13(10)15)4-8(14)5-11(12)17-3/h4-7H,15H2,1-3H3
InChIKeyPJKCQCLDCPXEPU-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.82
Rot. Bonds3

About 4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine

4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 117496003) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
PubChem CID117496003
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(Br)cc(-c2cnoc2N)c1C(C)C
InChIInChI=1S/C13H15BrN2O2/c1-7(2)12-9(10-6-16-18-13(10)15)4-8(14)5-11(12)17-3/h4-7H,15H2,1-3H3
InChIKeyPJKCQCLDCPXEPU-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

5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 117494937
4-(2,4-dimethoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117410390
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428577
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine
CID 83548488
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117493833
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477
4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117442637
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
CID 117490148
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine (CID 117496003) is 4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine is COc1cc(Br)cc(-c2cnoc2N)c1C(C)C.
What is the InChIKey of 4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is PJKCQCLDCPXEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-7(2)12-9(10-6-16-18-13(10)15)4-8(14)5-11(12)17-3/h4-7H,15H2,1-3H3.
What are the key properties of 4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine?
4-(5-bromo-3-methoxy-2-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 4-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117496003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).