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

C10H4ClFN2O4 — CID 131866966

IUPAC5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1c(-c2cc([N+](=O)[O-])ccc2F)noc1Cl
InChIInChI=1S/C10H4ClFN2O4/c11-10-7(4-15)9(13-18-10)6-3-5(14(16)17)1-2-8(6)12/h1-4H
InChIKeyIFNOBRHNULUCCV-UHFFFAOYSA-N
MW270.60 g/mol
LogP2.85
Rot. Bonds3

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

5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde (PubChem CID 131866966) has the molecular formula C10H4ClFN2O4 and a molecular weight of 270.60 g/mol. Its IUPAC name is 5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde
PubChem CID131866966
Molecular FormulaC10H4ClFN2O4
Molecular Weight270.60 g/mol
Exact Mass269.98
IUPAC Name5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1c(-c2cc([N+](=O)[O-])ccc2F)noc1Cl
InChIInChI=1S/C10H4ClFN2O4/c11-10-7(4-15)9(13-18-10)6-3-5(14(16)17)1-2-8(6)12/h1-4H
InChIKeyIFNOBRHNULUCCV-UHFFFAOYSA-N
XLogP2.85
TPSA86.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.60
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-5-nitrophenyl)pyrimidine
CID 22473571
5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 30028780
2-(5-chloro-2-fluorophenyl)-5-nitrobenzonitrile
CID 171663264
3-(2-fluoro-5-nitrophenyl)-1H-pyrazin-2-one
CID 166609653
5-chloro-4-(2-fluoro-5-nitrophenyl)-1-methylpyrazole
CID 175582721
2-(2-fluoro-5-nitrophenyl)acetaldehyde
CID 87087844
3-(2-fluoro-5-nitrophenyl)pyridine-4-carbonitrile
CID 22473560
3-(4-chlorophenyl)-5-(2,4-dinitrophenyl)-1,2,4-oxadiazole
CID 8895316
1-(2-chloro-5-nitrophenyl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 17437571
2-fluoro-5-nitrobenzenesulfonic acid;hydrochloride
CID 174777146
2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3822875
CID 70381437
CID 70381437

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde (CID 131866966) is 5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde is O=Cc1c(-c2cc([N+](=O)[O-])ccc2F)noc1Cl.
What is the InChIKey of 5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde?
The InChIKey is IFNOBRHNULUCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClFN2O4/c11-10-7(4-15)9(13-18-10)6-3-5(14(16)17)1-2-8(6)12/h1-4H.
What are the key properties of 5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde?
5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde has a molecular weight of 270.60 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-fluoro-5-nitrophenyl)-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 131866966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).