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

C17H15NO2 — CID 137045534

IUPAC4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol
SMILESCCc1ccc(-c2cc(-c3ccc(O)cc3)no2)cc1
InChIInChI=1S/C17H15NO2/c1-2-12-3-5-14(6-4-12)17-11-16(18-20-17)13-7-9-15(19)10-8-13/h3-11,19H,2H2,1H3
InChIKeyOFYQHCBAJZXTAR-UHFFFAOYSA-N
MW265.31 g/mol
LogP4.28
Rot. Bonds3

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

4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol (PubChem CID 137045534) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol
PubChem CID137045534
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol
SMILESCCc1ccc(-c2cc(-c3ccc(O)cc3)no2)cc1
InChIInChI=1S/C17H15NO2/c1-2-12-3-5-14(6-4-12)17-11-16(18-20-17)13-7-9-15(19)10-8-13/h3-11,19H,2H2,1H3
InChIKeyOFYQHCBAJZXTAR-UHFFFAOYSA-N
XLogP4.28
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol?
The IUPAC name of 4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol (CID 137045534) is 4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol?
The canonical SMILES for 4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol is CCc1ccc(-c2cc(-c3ccc(O)cc3)no2)cc1.
What is the InChIKey of 4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol?
The InChIKey is OFYQHCBAJZXTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-12-3-5-14(6-4-12)17-11-16(18-20-17)13-7-9-15(19)10-8-13/h3-11,19H,2H2,1H3.
What are the key properties of 4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol?
4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol has a molecular weight of 265.31 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol is sourced from PubChem (CID 137045534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).