2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole

C10H9BrFNO — CID 173143956

IUPAC2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole
SMILESCC1C=C(c2ccc(F)cc2)N(Br)O1
InChIInChI=1S/C10H9BrFNO/c1-7-6-10(13(11)14-7)8-2-4-9(12)5-3-8/h2-7H,1H3
InChIKeyHRXFHGCOWPVHAE-UHFFFAOYSA-N
MW258.09 g/mol
LogP3.11
Rot. Bonds1

About 2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole

2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole (PubChem CID 173143956) has the molecular formula C10H9BrFNO and a molecular weight of 258.09 g/mol. Its IUPAC name is 2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole.

Molecular Properties

Compound Name2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole
PubChem CID173143956
Molecular FormulaC10H9BrFNO
Molecular Weight258.09 g/mol
Exact Mass256.99
IUPAC Name2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole
SMILESCC1C=C(c2ccc(F)cc2)N(Br)O1
InChIInChI=1S/C10H9BrFNO/c1-7-6-10(13(11)14-7)8-2-4-9(12)5-3-8/h2-7H,1H3
InChIKeyHRXFHGCOWPVHAE-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-Fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56986394
1-(2,4-difluorophenyl)-N-methoxyethenamine
CID 57050334
1-(3,4-difluorophenyl)-N-methoxyethenamine
CID 57058181
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
[3-(4-Fluorophenyl)-5-methyl-2,5-dihydro-1,2-oxazol-4-yl]methanol
CID 57113488
5-(Chloromethyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 57128721
1-(2,5-difluorophenyl)-N-methoxyethenamine
CID 57227492
1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57266923
1-(4-fluorophenyl)-N-methoxypent-1-en-1-amine
CID 57284314
2-dimethoxyphosphoryl-3-(4-fluorophenyl)-5H-1,2-oxazole
CID 67826392
1-(4-fluorophenyl)-N-methoxyethenamine
CID 90882872
1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine
CID 90980629

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole?
The IUPAC name of 2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole (CID 173143956) is 2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole.
What is the SMILES notation for 2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole?
The canonical SMILES for 2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole is CC1C=C(c2ccc(F)cc2)N(Br)O1.
What is the InChIKey of 2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole?
The InChIKey is HRXFHGCOWPVHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO/c1-7-6-10(13(11)14-7)8-2-4-9(12)5-3-8/h2-7H,1H3.
What are the key properties of 2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole?
2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole has a molecular weight of 258.09 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(4-fluorophenyl)-5-methyl-5H-1,2-oxazole is sourced from PubChem (CID 173143956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).