3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole

C15H7ClF2N2O3 — CID 67270472

IUPAC3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole
SMILESO=[N+]([O-])c1ccc(Cl)cc1-c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C15H7ClF2N2O3/c16-8-1-4-14(20(21)22)11(5-8)13-7-15(23-19-13)10-3-2-9(17)6-12(10)18/h1-7H
InChIKeyQGGAVFSTULCPJU-UHFFFAOYSA-N
MW336.68 g/mol
LogP4.85
Rot. Bonds3

About 3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole

3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole (PubChem CID 67270472) has the molecular formula C15H7ClF2N2O3 and a molecular weight of 336.68 g/mol. Its IUPAC name is 3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole
PubChem CID67270472
Molecular FormulaC15H7ClF2N2O3
Molecular Weight336.68 g/mol
Exact Mass336.01
IUPAC Name3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole
SMILESO=[N+]([O-])c1ccc(Cl)cc1-c1cc(-c2ccc(F)cc2F)on1
InChIInChI=1S/C15H7ClF2N2O3/c16-8-1-4-14(20(21)22)11(5-8)13-7-15(23-19-13)10-3-2-9(17)6-12(10)18/h1-7H
InChIKeyQGGAVFSTULCPJU-UHFFFAOYSA-N
XLogP4.85
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-chloro-5-(5-fluoro-2-nitrophenyl)-1,2,4-oxadiazole
CID 112572090
1,2,3,4,5-pentachloro-6-(5-fluoro-2-nitrophenyl)benzene
CID 134630100
4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene
CID 19878908
4-(2,4-difluorophenyl)-2-nitroaniline
CID 175739959
3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole
CID 165349290
4-(5-chloro-2-nitrophenyl)-1,2-oxazole-3-carboxylic acid
CID 150693049
5-(3-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazole
CID 142469500
5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79556466
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
CID 142744710
CID 58762875
CID 58762875
3-(6-chloro-5-fluoro-3-pyridinyl)-4-nitrobenzamide
CID 152692140
3-[5-(4-fluorophenyl)-2-nitrophenyl]-1-methylpyrazole
CID 169043520

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole?
The IUPAC name of 3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole (CID 67270472) is 3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole.
What is the SMILES notation for 3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole?
The canonical SMILES for 3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole is O=[N+]([O-])c1ccc(Cl)cc1-c1cc(-c2ccc(F)cc2F)on1.
What is the InChIKey of 3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole?
The InChIKey is QGGAVFSTULCPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF2N2O3/c16-8-1-4-14(20(21)22)11(5-8)13-7-15(23-19-13)10-3-2-9(17)6-12(10)18/h1-7H.
What are the key properties of 3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole?
3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole has a molecular weight of 336.68 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-nitrophenyl)-5-(2,4-difluorophenyl)-1,2-oxazole is sourced from PubChem (CID 67270472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).