4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole

C10H5BrF3NO — CID 79757737

IUPAC4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2ocnc2CBr)c(F)c1F
InChIInChI=1S/C10H5BrF3NO/c11-3-7-10(16-4-15-7)5-1-2-6(12)9(14)8(5)13/h1-2,4H,3H2
InChIKeyURPVNDZQAPMRSD-UHFFFAOYSA-N
MW292.05 g/mol
LogP3.65
Rot. Bonds2

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

4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole (PubChem CID 79757737) has the molecular formula C10H5BrF3NO and a molecular weight of 292.05 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole
PubChem CID79757737
Molecular FormulaC10H5BrF3NO
Molecular Weight292.05 g/mol
Exact Mass290.95
IUPAC Name4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole
SMILESFc1ccc(-c2ocnc2CBr)c(F)c1F
InChIInChI=1S/C10H5BrF3NO/c11-3-7-10(16-4-15-7)5-1-2-6(12)9(14)8(5)13/h1-2,4H,3H2
InChIKeyURPVNDZQAPMRSD-UHFFFAOYSA-N
XLogP3.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.05
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[5-(2,3,4-trifluorophenyl)-1,3-oxazol-4-yl]methanol
CID 79757541
4-(bromomethyl)-5-(2-fluorophenyl)-1,3-oxazole
CID 79154261
4-(bromomethyl)-5-(2-fluoro-3-methylphenyl)-1,3-oxazole
CID 81479228
4-(bromomethyl)-5-(2,6-difluorophenyl)-1,3-oxazole
CID 79154807
ethyl 5-(2,3,4-trifluorophenyl)-1,3-oxazole-4-carboxylate
CID 79755764
4-(bromomethyl)-5-(3-fluorophenyl)-1,3-oxazole
CID 79153356
4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole
CID 107101359
4-(bromomethyl)-5-(2,5-dibromothiophen-3-yl)-1,3-oxazole
CID 107967352
5-(1-benzothiophen-3-yl)-4-(bromomethyl)-1,3-oxazole
CID 79153243
4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole
CID 103123681
4-(bromomethyl)-5-(4-propan-2-ylphenyl)-1,3-oxazole
CID 79153466
1-[5-(2-fluoro-3-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 81478617

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole (CID 79757737) is 4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole is Fc1ccc(-c2ocnc2CBr)c(F)c1F.
What is the InChIKey of 4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole?
The InChIKey is URPVNDZQAPMRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3NO/c11-3-7-10(16-4-15-7)5-1-2-6(12)9(14)8(5)13/h1-2,4H,3H2.
What are the key properties of 4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole?
4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole has a molecular weight of 292.05 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(2,3,4-trifluorophenyl)-1,3-oxazole is sourced from PubChem (CID 79757737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).