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

C15H19NO2 — CID 144547403

IUPAC1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol
SMILESCCc1cc(-c2c(C)noc2C)cc(C(C)O)c1
InChIInChI=1S/C15H19NO2/c1-5-12-6-13(10(3)17)8-14(7-12)15-9(2)16-18-11(15)4/h6-8,10,17H,5H2,1-4H3
InChIKeyCMUBQTDXVXVXOH-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.57
Rot. Bonds3

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

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol (PubChem CID 144547403) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol
PubChem CID144547403
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol
SMILESCCc1cc(-c2c(C)noc2C)cc(C(C)O)c1
InChIInChI=1S/C15H19NO2/c1-5-12-6-13(10(3)17)8-14(7-12)15-9(2)16-18-11(15)4/h6-8,10,17H,5H2,1-4H3
InChIKeyCMUBQTDXVXVXOH-UHFFFAOYSA-N
XLogP3.57
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol?
The IUPAC name of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol (CID 144547403) is 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol?
The canonical SMILES for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol is CCc1cc(-c2c(C)noc2C)cc(C(C)O)c1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol?
The InChIKey is CMUBQTDXVXVXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-5-12-6-13(10(3)17)8-14(7-12)15-9(2)16-18-11(15)4/h6-8,10,17H,5H2,1-4H3.
What are the key properties of 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol?
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol has a molecular weight of 245.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethylphenyl]ethanol is sourced from PubChem (CID 144547403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).