6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole

C11H9N3O3 — CID 118618299

IUPAC6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
SMILESO=[N+]([O-])c1ccc(-c2cc3n(n2)CCO3)cc1
InChIInChI=1S/C11H9N3O3/c15-14(16)9-3-1-8(2-4-9)10-7-11-13(12-10)5-6-17-11/h1-4,7H,5-6H2
InChIKeyIEFJBRUOWMRXNG-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.85
Rot. Bonds2

About 6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole

6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole (PubChem CID 118618299) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
PubChem CID118618299
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole
SMILESO=[N+]([O-])c1ccc(-c2cc3n(n2)CCO3)cc1
InChIInChI=1S/C11H9N3O3/c15-14(16)9-3-1-8(2-4-9)10-7-11-13(12-10)5-6-17-11/h1-4,7H,5-6H2
InChIKeyIEFJBRUOWMRXNG-UHFFFAOYSA-N
XLogP1.85
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
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

[1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 42762350
5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole
CID 12061634
N-(2-methyl-5-nitrophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536892
1-ethyl-3-(4-nitrophenyl)pyrazole-5-carbaldehyde
CID 84761305
2-(2-morpholin-4-yl-2-oxoethyl)-6-(4-nitrophenyl)pyridazin-3-one
CID 7665412
4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline
CID 19421082
5-chloro-3-(4-nitrophenyl)-1,2-oxazole
CID 15258968
4-(4-nitrophenyl)oxadiazole
CID 18950797
N,N-dimethyl-4-[5-(4-nitrophenyl)-1H-pyrazol-3-yl]aniline
CID 3809870
2-bromo-4-(4-nitrophenyl)-1,3-oxazole
CID 102974582
3-(4-nitrophenyl)oxazin-6-one
CID 759154
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783

Frequently Asked Questions

What is the IUPAC name of 6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
The IUPAC name of 6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole (CID 118618299) is 6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole.
What is the SMILES notation for 6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
The canonical SMILES for 6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole is O=[N+]([O-])c1ccc(-c2cc3n(n2)CCO3)cc1.
What is the InChIKey of 6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
The InChIKey is IEFJBRUOWMRXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-14(16)9-3-1-8(2-4-9)10-7-11-13(12-10)5-6-17-11/h1-4,7H,5-6H2.
What are the key properties of 6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole?
6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole has a molecular weight of 231.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitrophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole is sourced from PubChem (CID 118618299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).