[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol

C10H10BrNO2 — CID 56982022

IUPAC[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C10H10BrNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,9,12-13H,6H2
InChIKeyCAWNXRZKTRNNJY-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.69
Rot. Bonds2

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

[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 56982022) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID56982022
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1C=C(c2ccc(Br)cc2)NO1
InChIInChI=1S/C10H10BrNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,9,12-13H,6H2
InChIKeyCAWNXRZKTRNNJY-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol (CID 56982022) is [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol is OCC1C=C(c2ccc(Br)cc2)NO1.
What is the InChIKey of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is CAWNXRZKTRNNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,9,12-13H,6H2.
What are the key properties of [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 256.10 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 56982022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).