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

C11H7FN2O5 — CID 62233541

IUPAC2-(5-fluoro-2-nitrophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2cc(F)ccc2[N+](=O)[O-])nc1C(=O)O
InChIInChI=1S/C11H7FN2O5/c1-5-9(11(15)16)13-10(19-5)7-4-6(12)2-3-8(7)14(17)18/h2-4H,1H3,(H,15,16)
InChIKeyMJOYMKDIIUQPFP-UHFFFAOYSA-N
MW266.18 g/mol
LogP2.40
Rot. Bonds3

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

2-(5-fluoro-2-nitrophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 62233541) has the molecular formula C11H7FN2O5 and a molecular weight of 266.18 g/mol. Its IUPAC name is 2-(5-fluoro-2-nitrophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-nitrophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID62233541
Molecular FormulaC11H7FN2O5
Molecular Weight266.18 g/mol
Exact Mass266.03
IUPAC Name2-(5-fluoro-2-nitrophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2cc(F)ccc2[N+](=O)[O-])nc1C(=O)O
InChIInChI=1S/C11H7FN2O5/c1-5-9(11(15)16)13-10(19-5)7-4-6(12)2-3-8(7)14(17)18/h2-4H,1H3,(H,15,16)
InChIKeyMJOYMKDIIUQPFP-UHFFFAOYSA-N
XLogP2.40
TPSA106.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-nitrophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-nitrophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid (CID 62233541) is 2-(5-fluoro-2-nitrophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-nitrophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-nitrophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1oc(-c2cc(F)ccc2[N+](=O)[O-])nc1C(=O)O.
What is the InChIKey of 2-(5-fluoro-2-nitrophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is MJOYMKDIIUQPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O5/c1-5-9(11(15)16)13-10(19-5)7-4-6(12)2-3-8(7)14(17)18/h2-4H,1H3,(H,15,16).
What are the key properties of 2-(5-fluoro-2-nitrophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid?
2-(5-fluoro-2-nitrophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 266.18 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-nitrophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62233541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).