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

C11H10BrNO — CID 2776147

IUPAC4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1CBr
InChIInChI=1S/C11H10BrNO/c1-8-10(7-12)11(13-14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyUICMWXWMCOJBIQ-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.54
Rot. Bonds2

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

4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole (PubChem CID 2776147) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
PubChem CID2776147
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1CBr
InChIInChI=1S/C11H10BrNO/c1-8-10(7-12)11(13-14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyUICMWXWMCOJBIQ-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-[(6-bromopyridazin-3-yl)oxymethyl]-5-methyl-3-phenyl-1,2-oxazole
CID 42629653
[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
CID 82019192
ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate
CID 170884921
1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738199
3-(4-bromophenyl)-5-methyl-4-(2-phenylethylsulfanylmethyl)-1,2-oxazole
CID 66578771
[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127944
[3-(4-ethylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127036
4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine
CID 155563136
[5-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82128528
2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one
CID 90831233
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanamine
CID 42778874
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole (CID 2776147) is 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole is Cc1onc(-c2ccccc2)c1CBr.
What is the InChIKey of 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole?
The InChIKey is UICMWXWMCOJBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-8-10(7-12)11(13-14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole?
4-(bromomethyl)-5-methyl-3-phenyl-1,2-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)-5-methyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 2776147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).