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

C9H8ClNO2S — CID 115083549

IUPAC2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
SMILESOCCc1coc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C9H8ClNO2S/c10-8-2-1-7(14-8)9-11-6(3-4-12)5-13-9/h1-2,5,12H,3-4H2
InChIKeyBXSIDVPCGQCQBS-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.59
Rot. Bonds3

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

2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol (PubChem CID 115083549) has the molecular formula C9H8ClNO2S and a molecular weight of 229.69 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
PubChem CID115083549
Molecular FormulaC9H8ClNO2S
Molecular Weight229.69 g/mol
Exact Mass229.00
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
SMILESOCCc1coc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C9H8ClNO2S/c10-8-2-1-7(14-8)9-11-6(3-4-12)5-13-9/h1-2,5,12H,3-4H2
InChIKeyBXSIDVPCGQCQBS-UHFFFAOYSA-N
XLogP2.59
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.59
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-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine
CID 115083581
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate
CID 7146562
2-[2-(5-bromothiophen-2-yl)-1,3-oxazol-4-yl]acetaldehyde
CID 115083567
3-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 82121362
2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol
CID 84604616
[2-(5-chlorothiophen-2-yl)pyrimidin-5-yl]methanol
CID 131160800
5-chloro-2-(5-chlorothiophen-2-yl)-1,3-oxazole
CID 117258864
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078709
N-[[2-(5-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65287895
4-(5-chlorothiophen-2-yl)-N-methyl-1,3-oxazol-2-amine
CID 116832484

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol (CID 115083549) is 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol is OCCc1coc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol?
The InChIKey is BXSIDVPCGQCQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2S/c10-8-2-1-7(14-8)9-11-6(3-4-12)5-13-9/h1-2,5,12H,3-4H2.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol?
2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol has a molecular weight of 229.69 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 115083549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).