5-nitro-2-(1,2-oxazol-5-yl)phenol

C9H6N2O4 — CID 135445335

IUPAC5-nitro-2-(1,2-oxazol-5-yl)phenol
SMILESO=[N+]([O-])c1ccc(-c2ccno2)c(O)c1
InChIInChI=1S/C9H6N2O4/c12-8-5-6(11(13)14)1-2-7(8)9-3-4-10-15-9/h1-5,12H
InChIKeyOAMASYCRWJIJDT-UHFFFAOYSA-N
MW206.16 g/mol
LogP1.96
Rot. Bonds2

About 5-nitro-2-(1,2-oxazol-5-yl)phenol

5-nitro-2-(1,2-oxazol-5-yl)phenol (PubChem CID 135445335) has the molecular formula C9H6N2O4 and a molecular weight of 206.16 g/mol. Its IUPAC name is 5-nitro-2-(1,2-oxazol-5-yl)phenol.

Molecular Properties

Compound Name5-nitro-2-(1,2-oxazol-5-yl)phenol
PubChem CID135445335
Molecular FormulaC9H6N2O4
Molecular Weight206.16 g/mol
Exact Mass206.03
IUPAC Name5-nitro-2-(1,2-oxazol-5-yl)phenol
SMILESO=[N+]([O-])c1ccc(-c2ccno2)c(O)c1
InChIInChI=1S/C9H6N2O4/c12-8-5-6(11(13)14)1-2-7(8)9-3-4-10-15-9/h1-5,12H
InChIKeyOAMASYCRWJIJDT-UHFFFAOYSA-N
XLogP1.96
TPSA89.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-1,3-oxazol-5-yl)-5-nitrophenol
CID 163540013
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
1-(4-nitrophenyl)-3-(1,2-oxazol-5-yl)urea
CID 108814006
2-(4-methylsulfonylphenyl)-5-nitrophenol
CID 139699309
2-ethyl-5-nitrophenol
CID 18980077
2-bromo-5-nitrophenol;ethane
CID 177010307
(2-hydroxy-4-nitrophenyl)cyanamide
CID 107857211
azane;2,4-dinitrophenol;hydrate
CID 174664401
5-nitro-1,2-benzoxazol-7-ol
CID 119091704
2-(methylideneamino)-4-nitrophenol
CID 153394573
5-nitrobenzene-1,2,3-triol
CID 19910425
[5-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methanol
CID 43472939

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(1,2-oxazol-5-yl)phenol?
The IUPAC name of 5-nitro-2-(1,2-oxazol-5-yl)phenol (CID 135445335) is 5-nitro-2-(1,2-oxazol-5-yl)phenol.
What is the SMILES notation for 5-nitro-2-(1,2-oxazol-5-yl)phenol?
The canonical SMILES for 5-nitro-2-(1,2-oxazol-5-yl)phenol is O=[N+]([O-])c1ccc(-c2ccno2)c(O)c1.
What is the InChIKey of 5-nitro-2-(1,2-oxazol-5-yl)phenol?
The InChIKey is OAMASYCRWJIJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O4/c12-8-5-6(11(13)14)1-2-7(8)9-3-4-10-15-9/h1-5,12H.
What are the key properties of 5-nitro-2-(1,2-oxazol-5-yl)phenol?
5-nitro-2-(1,2-oxazol-5-yl)phenol has a molecular weight of 206.16 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(1,2-oxazol-5-yl)phenol is sourced from PubChem (CID 135445335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).