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

C11H10ClNO2 — CID 10537075

IUPAC2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol
SMILESOCCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C11H10ClNO2/c12-9-3-1-8(2-4-9)11-7-10(5-6-14)15-13-11/h1-4,7,14H,5-6H2
InChIKeyXVWNLZSTGZYSEM-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.53
Rot. Bonds3

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

2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol (PubChem CID 10537075) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol
PubChem CID10537075
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol
SMILESOCCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C11H10ClNO2/c12-9-3-1-8(2-4-9)11-7-10(5-6-14)15-13-11/h1-4,7,14H,5-6H2
InChIKeyXVWNLZSTGZYSEM-UHFFFAOYSA-N
XLogP2.53
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol (CID 10537075) is 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol is OCCc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
The InChIKey is XVWNLZSTGZYSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-9-3-1-8(2-4-9)11-7-10(5-6-14)15-13-11/h1-4,7,14H,5-6H2.
What are the key properties of 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol?
2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol has a molecular weight of 223.66 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 10537075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).