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

C11H10ClNO2 — CID 2763374

IUPAC1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol
SMILESCC(O)c1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C11H10ClNO2/c1-7(14)11-6-10(13-15-11)8-2-4-9(12)5-3-8/h2-7,14H,1H3
InChIKeySQYVFTREWNTIKO-UHFFFAOYSA-N
MW223.66 g/mol
LogP3.05
Rot. Bonds2

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

1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol (PubChem CID 2763374) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol
PubChem CID2763374
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol
SMILESCC(O)c1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C11H10ClNO2/c1-7(14)11-6-10(13-15-11)8-2-4-9(12)5-3-8/h2-7,14H,1H3
InChIKeySQYVFTREWNTIKO-UHFFFAOYSA-N
XLogP3.05
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol (CID 2763374) is 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol is CC(O)c1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
The InChIKey is SQYVFTREWNTIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-7(14)11-6-10(13-15-11)8-2-4-9(12)5-3-8/h2-7,14H,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol has a molecular weight of 223.66 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 2763374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).