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

C15H11NO3 — CID 135855877

IUPAC3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol
SMILESOc1ccc(-c2cc(-c3cccc(O)c3)on2)cc1
InChIInChI=1S/C15H11NO3/c17-12-6-4-10(5-7-12)14-9-15(19-16-14)11-2-1-3-13(18)8-11/h1-9,17-18H
InChIKeyZYSCCHLCNRGGTO-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.42
Rot. Bonds2

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

3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol (PubChem CID 135855877) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol
PubChem CID135855877
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol
SMILESOc1ccc(-c2cc(-c3cccc(O)c3)on2)cc1
InChIInChI=1S/C15H11NO3/c17-12-6-4-10(5-7-12)14-9-15(19-16-14)11-2-1-3-13(18)8-11/h1-9,17-18H
InChIKeyZYSCCHLCNRGGTO-UHFFFAOYSA-N
XLogP3.42
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Diphenylisoxazole
CID 137292
(5-Phenyl-1,2-oxazol-3-yl)methanol
CID 1481082
3-Methyl-5-phenylisoxazole
CID 136804
5-Phenyl-3-isoxazolecarboxylic acid
CID 151916
3-Phenylisoxazole-5-carboxylic Acid
CID 737474
3-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-5-[(S)-Hydroxy(Phenyl)methyl]phenol
CID 70699441
3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-5-ol
CID 135474625
4-Benzo[d]isoxazol-3-yl-benzene-1,3-diol
CID 135496123
Isoxazole, 5-(4-methylphenyl)-3-phenyl-
CID 296680
5-(4-Hydroxyphenyl)isoxazole-3-carboxylic acid
CID 1090983
5-(4-Methylphenyl)isoxazole-3-carboxylic acid
CID 973883
3-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-5-[(R)-Hydroxy(Phenyl)methyl]phenol
CID 70699440

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol?
The IUPAC name of 3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol (CID 135855877) is 3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol is Oc1ccc(-c2cc(-c3cccc(O)c3)on2)cc1.
What is the InChIKey of 3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol?
The InChIKey is ZYSCCHLCNRGGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-12-6-4-10(5-7-12)14-9-15(19-16-14)11-2-1-3-13(18)8-11/h1-9,17-18H.
What are the key properties of 3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol?
3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol has a molecular weight of 253.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydroxyphenyl)-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 135855877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).