5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole

C12H11BrFNO2 — CID 82135165

IUPAC5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole
SMILESCOc1ccc(F)cc1-c1nc(C)oc1CBr
InChIInChI=1S/C12H11BrFNO2/c1-7-15-12(11(6-13)17-7)9-5-8(14)3-4-10(9)16-2/h3-5H,6H2,1-2H3
InChIKeyDDROWMUIEISASU-UHFFFAOYSA-N
MW300.13 g/mol
LogP3.69
Rot. Bonds3

About 5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole

5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole (PubChem CID 82135165) has the molecular formula C12H11BrFNO2 and a molecular weight of 300.13 g/mol. Its IUPAC name is 5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole
PubChem CID82135165
Molecular FormulaC12H11BrFNO2
Molecular Weight300.13 g/mol
Exact Mass299.00
IUPAC Name5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole
SMILESCOc1ccc(F)cc1-c1nc(C)oc1CBr
InChIInChI=1S/C12H11BrFNO2/c1-7-15-12(11(6-13)17-7)9-5-8(14)3-4-10(9)16-2/h3-5H,6H2,1-2H3
InChIKeyDDROWMUIEISASU-UHFFFAOYSA-N
XLogP3.69
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 94693410
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80977034
2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82133676
3-(5-fluoro-2-methoxyphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106518375
4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine
CID 82390103
5-(5-fluoro-2-methoxyphenyl)-3-methyl-1,2-oxazole
CID 116868898
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82132981
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 94285487
4-(5-fluoro-2-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136955594
[4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82480164
ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477373

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole?
The IUPAC name of 5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole (CID 82135165) is 5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole is COc1ccc(F)cc1-c1nc(C)oc1CBr.
What is the InChIKey of 5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole?
The InChIKey is DDROWMUIEISASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2/c1-7-15-12(11(6-13)17-7)9-5-8(14)3-4-10(9)16-2/h3-5H,6H2,1-2H3.
What are the key properties of 5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole?
5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole has a molecular weight of 300.13 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-(5-fluoro-2-methoxyphenyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 82135165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).