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

C17H13NO2 — CID 137301660

IUPAC2-[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]phenol
SMILESOc1ccccc1-c1cc(/C=C/c2ccccc2)no1
InChIInChI=1S/C17H13NO2/c19-16-9-5-4-8-15(16)17-12-14(18-20-17)11-10-13-6-2-1-3-7-13/h1-12,19H/b11-10+
InChIKeyIHEOOCLELHWTIN-ZHACJKMWSA-N
MW263.30 g/mol
LogP4.22
Rot. Bonds3

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

2-[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]phenol (PubChem CID 137301660) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]phenol
PubChem CID137301660
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name2-[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]phenol
SMILESOc1ccccc1-c1cc(/C=C/c2ccccc2)no1
InChIInChI=1S/C17H13NO2/c19-16-9-5-4-8-15(16)17-12-14(18-20-17)11-10-13-6-2-1-3-7-13/h1-12,19H/b11-10+
InChIKeyIHEOOCLELHWTIN-ZHACJKMWSA-N
XLogP4.22
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
4-(6-Hydroxy-benzo[D]isoxazol-3-YL)benzene-1,3-diol
CID 5287464
2-(5-Isoxazolyl)phenol
CID 578506
3-(2-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135474202
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
(3-Methyl-5-phenyl-isoxazol-4-yl)-methanol
CID 2776519
2-[3-(4-Fluorophenyl)-5-isoxazolyl]-4-methylphenol
CID 873889

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]phenol?
The IUPAC name of 2-[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]phenol (CID 137301660) is 2-[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 2-[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 2-[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]phenol is Oc1ccccc1-c1cc(/C=C/c2ccccc2)no1.
What is the InChIKey of 2-[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]phenol?
The InChIKey is IHEOOCLELHWTIN-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H13NO2/c19-16-9-5-4-8-15(16)17-12-14(18-20-17)11-10-13-6-2-1-3-7-13/h1-12,19H/b11-10+.
What are the key properties of 2-[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]phenol?
2-[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]phenol has a molecular weight of 263.30 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-2-phenylethenyl]-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 137301660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).