2-(4-methyl-3-phenyl-1,2-oxazol-5-yl)phenol

C16H13NO2 — CID 135604709

IUPAC2-(4-methyl-3-phenyl-1,2-oxazol-5-yl)phenol
SMILESCc1c(-c2ccccc2)noc1-c1ccccc1O
InChIInChI=1S/C16H13NO2/c1-11-15(12-7-3-2-4-8-12)17-19-16(11)13-9-5-6-10-14(13)18/h2-10,18H,1H3
InChIKeyZBFYEHYALJAWHO-UHFFFAOYSA-N
MW251.29 g/mol
LogP4.02
Rot. Bonds2

About 2-(4-methyl-3-phenyl-1,2-oxazol-5-yl)phenol

2-(4-methyl-3-phenyl-1,2-oxazol-5-yl)phenol (PubChem CID 135604709) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(4-methyl-3-phenyl-1,2-oxazol-5-yl)phenol.

Molecular Properties

Compound Name2-(4-methyl-3-phenyl-1,2-oxazol-5-yl)phenol
PubChem CID135604709
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name2-(4-methyl-3-phenyl-1,2-oxazol-5-yl)phenol
SMILESCc1c(-c2ccccc2)noc1-c1ccccc1O
InChIInChI=1S/C16H13NO2/c1-11-15(12-7-3-2-4-8-12)17-19-16(11)13-9-5-6-10-14(13)18/h2-10,18H,1H3
InChIKeyZBFYEHYALJAWHO-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
5-Methyl-3-phenylisoxazole-4-carboxylic acid
CID 14343
4-(6-Hydroxy-benzo[D]isoxazol-3-YL)benzene-1,3-diol
CID 5287464
5-Methyl-3,4-diphenyl-isoxazole
CID 9991673
2-(5-Isoxazolyl)phenol
CID 578506
3,4-Diphenyl-5-ethylisoxazole
CID 10377376
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 2-(4-methyl-3-phenyl-1,2-oxazol-5-yl)phenol?
The IUPAC name of 2-(4-methyl-3-phenyl-1,2-oxazol-5-yl)phenol (CID 135604709) is 2-(4-methyl-3-phenyl-1,2-oxazol-5-yl)phenol.
What is the SMILES notation for 2-(4-methyl-3-phenyl-1,2-oxazol-5-yl)phenol?
The canonical SMILES for 2-(4-methyl-3-phenyl-1,2-oxazol-5-yl)phenol is Cc1c(-c2ccccc2)noc1-c1ccccc1O.
What is the InChIKey of 2-(4-methyl-3-phenyl-1,2-oxazol-5-yl)phenol?
The InChIKey is ZBFYEHYALJAWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-11-15(12-7-3-2-4-8-12)17-19-16(11)13-9-5-6-10-14(13)18/h2-10,18H,1H3.
What are the key properties of 2-(4-methyl-3-phenyl-1,2-oxazol-5-yl)phenol?
2-(4-methyl-3-phenyl-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-(4-methyl-3-phenyl-1,2-oxazol-5-yl)phenol is sourced from PubChem (CID 135604709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).