2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone

C16H11NO3 — CID 176526172

IUPAC2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone
SMILESCc1nc2cc(C(=C=O)c3cccc(O)c3)ccc2o1
InChIInChI=1S/C16H11NO3/c1-10-17-15-8-12(5-6-16(15)20-10)14(9-18)11-3-2-4-13(19)7-11/h2-8,19H,1H3
InChIKeyPZSHUSFVZZAJSY-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.11
Rot. Bonds2

About 2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone

2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone (PubChem CID 176526172) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone
PubChem CID176526172
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone
SMILESCc1nc2cc(C(=C=O)c3cccc(O)c3)ccc2o1
InChIInChI=1S/C16H11NO3/c1-10-17-15-8-12(5-6-16(15)20-10)14(9-18)11-3-2-4-13(19)7-11/h2-8,19H,1H3
InChIKeyPZSHUSFVZZAJSY-UHFFFAOYSA-N
XLogP3.11
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1,3-benzoxazol-5-ol
CID 10888073
(3-aminophenyl)-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 116917263
1-(2-methyl-1,3-benzoxazol-5-yl)-2-methylsulfanylethanone
CID 116830140
carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
CID 162219580
N-(3-methoxyphenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388014
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920
lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate
CID 159145019
2-methyl-N-[(2-methylphenyl)methyl]-1,3-benzoxazole-5-carboxamide
CID 110387916
3-hydroxypropyl 2-methyl-1,3-benzoxazole-5-carboxylate
CID 116863070
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol
CID 58946383
5-chloro-2-methyl-1,3-benzoxazole
CID 29510

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone?
The IUPAC name of 2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone (CID 176526172) is 2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone.
What is the SMILES notation for 2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone?
The canonical SMILES for 2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone is Cc1nc2cc(C(=C=O)c3cccc(O)c3)ccc2o1.
What is the InChIKey of 2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone?
The InChIKey is PZSHUSFVZZAJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c1-10-17-15-8-12(5-6-16(15)20-10)14(9-18)11-3-2-4-13(19)7-11/h2-8,19H,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone?
2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone has a molecular weight of 265.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)ethenone is sourced from PubChem (CID 176526172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).