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

C8H8BrNO2S — CID 91550052

IUPAC[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1C=C(c2ccc(Br)s2)NO1
InChIInChI=1S/C8H8BrNO2S/c9-8-2-1-7(13-8)6-3-5(4-11)12-10-6/h1-3,5,10-11H,4H2
InChIKeyPUVGFPDEQKPJAH-UHFFFAOYSA-N
MW262.13 g/mol
LogP1.75
Rot. Bonds2

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

[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 91550052) has the molecular formula C8H8BrNO2S and a molecular weight of 262.13 g/mol. Its IUPAC name is [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID91550052
Molecular FormulaC8H8BrNO2S
Molecular Weight262.13 g/mol
Exact Mass260.95
IUPAC Name[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1C=C(c2ccc(Br)s2)NO1
InChIInChI=1S/C8H8BrNO2S/c9-8-2-1-7(13-8)6-3-5(4-11)12-10-6/h1-3,5,10-11H,4H2
InChIKeyPUVGFPDEQKPJAH-UHFFFAOYSA-N
XLogP1.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanol (CID 91550052) is [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanol is OCC1C=C(c2ccc(Br)s2)NO1.
What is the InChIKey of [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is PUVGFPDEQKPJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2S/c9-8-2-1-7(13-8)6-3-5(4-11)12-10-6/h1-3,5,10-11H,4H2.
What are the key properties of [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 262.13 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromothiophen-2-yl)-2,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 91550052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).