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

C12H12ClNO2 — CID 122476666

IUPAC[2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol
SMILESCCc1oc(-c2ccc(Cl)cc2)nc1CO
InChIInChI=1S/C12H12ClNO2/c1-2-11-10(7-15)14-12(16-11)8-3-5-9(13)6-4-8/h3-6,15H,2,7H2,1H3
InChIKeyGZCYYGASNAUFDI-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.05
Rot. Bonds3

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

[2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol (PubChem CID 122476666) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol
PubChem CID122476666
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name[2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol
SMILESCCc1oc(-c2ccc(Cl)cc2)nc1CO
InChIInChI=1S/C12H12ClNO2/c1-2-11-10(7-15)14-12(16-11)8-3-5-9(13)6-4-8/h3-6,15H,2,7H2,1H3
InChIKeyGZCYYGASNAUFDI-UHFFFAOYSA-N
XLogP3.05
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol (CID 122476666) is [2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol is CCc1oc(-c2ccc(Cl)cc2)nc1CO.
What is the InChIKey of [2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol?
The InChIKey is GZCYYGASNAUFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-2-11-10(7-15)14-12(16-11)8-3-5-9(13)6-4-8/h3-6,15H,2,7H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol?
[2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol has a molecular weight of 237.69 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 122476666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).