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

C17H15NO3 — CID 135484499

IUPAC4-[4-ethyl-3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1
InChIInChI=1S/C17H15NO3/c1-2-15-16(11-3-7-13(19)8-4-11)18-21-17(15)12-5-9-14(20)10-6-12/h3-10,19-20H,2H2,1H3
InChIKeyORYDAYCREZMPQA-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.98
Rot. Bonds3

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

4-[4-ethyl-3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol (PubChem CID 135484499) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[4-ethyl-3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name4-[4-ethyl-3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol
PubChem CID135484499
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4-[4-ethyl-3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1
InChIInChI=1S/C17H15NO3/c1-2-15-16(11-3-7-13(19)8-4-11)18-21-17(15)12-5-9-14(20)10-6-12/h3-10,19-20H,2H2,1H3
InChIKeyORYDAYCREZMPQA-UHFFFAOYSA-N
XLogP3.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Diphenylisoxazole
CID 137292
4-(6-Hydroxy-benzo[D]isoxazol-3-YL)benzene-1,3-diol
CID 5287464
5-Methyl-3,4-diphenyl-isoxazole
CID 9991673
Isoxazole, 5-(4-methoxyphenyl)-3-phenyl-
CID 279122
3,4-Diphenyl-5-ethylisoxazole
CID 10377376
3-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-5-[(S)-Hydroxy(Phenyl)methyl]phenol
CID 70699441
3-(2-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135474202
3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-5-ol
CID 135474625
4-Benzo[d]isoxazol-3-yl-benzene-1,3-diol
CID 135496123
3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135526958
3-[3-(4-Hydroxyphenyl)isoxazol-5-yl]phenol
CID 135855877
Isoxazole, 5-(4-methylphenyl)-3-phenyl-
CID 296680

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol?
The IUPAC name of 4-[4-ethyl-3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol (CID 135484499) is 4-[4-ethyl-3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 4-[4-ethyl-3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 4-[4-ethyl-3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol is CCc1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-ethyl-3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol?
The InChIKey is ORYDAYCREZMPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-15-16(11-3-7-13(19)8-4-11)18-21-17(15)12-5-9-14(20)10-6-12/h3-10,19-20H,2H2,1H3.
What are the key properties of 4-[4-ethyl-3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol?
4-[4-ethyl-3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol has a molecular weight of 281.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 135484499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).