4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole

C11H10BrNO — CID 79021813

IUPAC4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(CBr)co2)cc1
InChIInChI=1S/C11H10BrNO/c1-8-2-4-9(5-3-8)11-13-10(6-12)7-14-11/h2-5,7H,6H2,1H3
InChIKeyBEAATLYJNVPGEM-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.54
Rot. Bonds2

About 4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole

4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 79021813) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
PubChem CID79021813
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2nc(CBr)co2)cc1
InChIInChI=1S/C11H10BrNO/c1-8-2-4-9(5-3-8)11-13-10(6-12)7-14-11/h2-5,7H,6H2,1H3
InChIKeyBEAATLYJNVPGEM-UHFFFAOYSA-N
XLogP3.54
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115084513
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylamino]ethanol
CID 110884956
4-(2-methoxybutyl)-2-(4-methylphenyl)-1,3-oxazole
CID 173344567
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol
CID 55169599
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol
CID 103706114
N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine
CID 56671957
4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 58119009
2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol
CID 107485496
4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56672873
4-(benzylsulfinylmethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 47024674

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole (CID 79021813) is 4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2nc(CBr)co2)cc1.
What is the InChIKey of 4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is BEAATLYJNVPGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-8-2-4-9(5-3-8)11-13-10(6-12)7-14-11/h2-5,7H,6H2,1H3.
What are the key properties of 4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole?
4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 252.11 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 79021813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).