2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid

C10H4F2N2O5 — CID 62235219

IUPAC2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2cc(F)c(F)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H4F2N2O5/c11-5-1-4(8(14(17)18)2-6(5)12)9-13-7(3-19-9)10(15)16/h1-3H,(H,15,16)
InChIKeyAQDKMFNXRKTTKH-UHFFFAOYSA-N
MW270.15 g/mol
LogP2.23
Rot. Bonds3

About 2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid

2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 62235219) has the molecular formula C10H4F2N2O5 and a molecular weight of 270.15 g/mol. Its IUPAC name is 2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID62235219
Molecular FormulaC10H4F2N2O5
Molecular Weight270.15 g/mol
Exact Mass270.01
IUPAC Name2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(-c2cc(F)c(F)cc2[N+](=O)[O-])n1
InChIInChI=1S/C10H4F2N2O5/c11-5-1-4(8(14(17)18)2-6(5)12)9-13-7(3-19-9)10(15)16/h1-3H,(H,15,16)
InChIKeyAQDKMFNXRKTTKH-UHFFFAOYSA-N
XLogP2.23
TPSA106.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 52.23
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-(4,5-difluoro-2-nitrophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842474
2-(2-fluoro-4-methylsulfanylphenyl)-1,3-oxazole-4-carboxylic acid
CID 144563914
2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid
CID 63048806
2-(4,5-difluoro-2-nitrophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771632
2-(2,4-dibromophenyl)-1,3-oxazole-4-carboxylic acid
CID 107940915
ethyl 5-(4,5-difluoro-2-nitrophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 115960759
2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84553164
2-carbonofluoridoyl-6-nitroquinoline-7-carboxylic acid
CID 174553979
2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62234680
acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046
2-(1,3-oxazol-4-yl)-1,3-oxazole-4-carboxylic acid
CID 58443555
2-fluoro-4-nitro-5-sulfanylbenzoic acid
CID 104700205

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid (CID 62235219) is 2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(-c2cc(F)c(F)cc2[N+](=O)[O-])n1.
What is the InChIKey of 2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is AQDKMFNXRKTTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F2N2O5/c11-5-1-4(8(14(17)18)2-6(5)12)9-13-7(3-19-9)10(15)16/h1-3H,(H,15,16).
What are the key properties of 2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid?
2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 270.15 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-difluoro-2-nitrophenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62235219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).