[(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

C10H8BrF2NO2 — CID 163283121

IUPAC[(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOC[C@H]1CC(c2cc(F)c(Br)c(F)c2)=NO1
InChIInChI=1S/C10H8BrF2NO2/c11-10-7(12)1-5(2-8(10)13)9-3-6(4-15)16-14-9/h1-2,6,15H,3-4H2/t6-/m1/s1
InChIKeyUUTRGEOCZVVJDE-ZCFIWIBFSA-N
MW292.08 g/mol
LogP2.21
Rot. Bonds2

About [(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

[(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 163283121) has the molecular formula C10H8BrF2NO2 and a molecular weight of 292.08 g/mol. Its IUPAC name is [(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID163283121
Molecular FormulaC10H8BrF2NO2
Molecular Weight292.08 g/mol
Exact Mass290.97
IUPAC Name[(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOC[C@H]1CC(c2cc(F)c(Br)c(F)c2)=NO1
InChIInChI=1S/C10H8BrF2NO2/c11-10-7(12)1-5(2-8(10)13)9-3-6(4-15)16-14-9/h1-2,6,15H,3-4H2/t6-/m1/s1
InChIKeyUUTRGEOCZVVJDE-ZCFIWIBFSA-N
XLogP2.21
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 163283121) is [(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is OC[C@H]1CC(c2cc(F)c(Br)c(F)c2)=NO1.
What is the InChIKey of [(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is UUTRGEOCZVVJDE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H8BrF2NO2/c11-10-7(12)1-5(2-8(10)13)9-3-6(4-15)16-14-9/h1-2,6,15H,3-4H2/t6-/m1/s1.
What are the key properties of [(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 292.08 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-(4-bromo-3,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 163283121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).