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

C16H13NO2 — CID 873890

IUPAC2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]phenol
SMILESCc1ccccc1-c1cc(-c2ccccc2O)on1
InChIInChI=1S/C16H13NO2/c1-11-6-2-3-7-12(11)14-10-16(19-17-14)13-8-4-5-9-15(13)18/h2-10,18H,1H3
InChIKeyYKNHGENBUSXLPZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP4.02
Rot. Bonds2

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

2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]phenol (PubChem CID 873890) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]phenol
PubChem CID873890
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]phenol
SMILESCc1ccccc1-c1cc(-c2ccccc2O)on1
InChIInChI=1S/C16H13NO2/c1-11-6-2-3-7-12(11)14-10-16(19-17-14)13-8-4-5-9-15(13)18/h2-10,18H,1H3
InChIKeyYKNHGENBUSXLPZ-UHFFFAOYSA-N
XLogP4.02
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
3-(2-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135474202
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
(3-Methyl-5-phenyl-isoxazol-4-yl)-methanol
CID 2776519
2-[3-(4-Fluorophenyl)-5-isoxazolyl]-4-methylphenol
CID 873889
Phenyl(5-phenyl-1,2-oxazol-3-yl)methanone
CID 346489
5-Methyl-2-(3-phenyl-5-isoxazolyl)phenol
CID 873963
4-[3-(5,5,8,8-Tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]benzoic acid
CID 11036162
3-Benzyl-5-phenylisoxazole
CID 849566

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]phenol?
The IUPAC name of 2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]phenol (CID 873890) is 2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]phenol is Cc1ccccc1-c1cc(-c2ccccc2O)on1.
What is the InChIKey of 2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]phenol?
The InChIKey is YKNHGENBUSXLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-11-6-2-3-7-12(11)14-10-16(19-17-14)13-8-4-5-9-15(13)18/h2-10,18H,1H3.
What are the key properties of 2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]phenol?
2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]phenol has a molecular weight of 251.29 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 873890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).