1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol

C9H8BrNO2S — CID 115083524

IUPAC1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
SMILESCC(O)c1coc(-c2ccc(Br)s2)n1
InChIInChI=1S/C9H8BrNO2S/c1-5(12)6-4-13-9(11-6)7-2-3-8(10)14-7/h2-5,12H,1H3
InChIKeyBTHWRCWISKGCJU-UHFFFAOYSA-N
MW274.14 g/mol
LogP3.22
Rot. Bonds2

About 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol

1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol (PubChem CID 115083524) has the molecular formula C9H8BrNO2S and a molecular weight of 274.14 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
PubChem CID115083524
Molecular FormulaC9H8BrNO2S
Molecular Weight274.14 g/mol
Exact Mass272.95
IUPAC Name1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
SMILESCC(O)c1coc(-c2ccc(Br)s2)n1
InChIInChI=1S/C9H8BrNO2S/c1-5(12)6-4-13-9(11-6)7-2-3-8(10)14-7/h2-5,12H,1H3
InChIKeyBTHWRCWISKGCJU-UHFFFAOYSA-N
XLogP3.22
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
CID 115083522
2-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]acetaldehyde
CID 115083567
2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115083581
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)propan-1-ol
CID 115083578
5-(5-bromothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
CID 112572132
2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole
CID 58664159
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)propan-1-amine
CID 115083577
2-[5-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115078694
6-(5-bromothiophen-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533474
5-(5-bromothiophen-2-yl)pentane-2,3-diol
CID 83935049
1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115086566
2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole
CID 115049454

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol (CID 115083524) is 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol is CC(O)c1coc(-c2ccc(Br)s2)n1.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol?
The InChIKey is BTHWRCWISKGCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2S/c1-5(12)6-4-13-9(11-6)7-2-3-8(10)14-7/h2-5,12H,1H3.
What are the key properties of 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol?
1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol has a molecular weight of 274.14 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 115083524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).