3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide

C11H7F3N2O3 — CID 71802473

IUPAC3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(F)c(F)c2F)on1
InChIInChI=1S/C11H7F3N2O3/c1-18-8-4-7(19-16-8)11(17)15-6-3-2-5(12)9(13)10(6)14/h2-4H,1H3,(H,15,17)
InChIKeyIXFOBOBSAIEYQW-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.35
Rot. Bonds3

About 3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide

3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 71802473) has the molecular formula C11H7F3N2O3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID71802473
Molecular FormulaC11H7F3N2O3
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC Name3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(F)c(F)c2F)on1
InChIInChI=1S/C11H7F3N2O3/c1-18-8-4-7(19-16-8)11(17)15-6-3-2-5(12)9(13)10(6)14/h2-4H,1H3,(H,15,17)
InChIKeyIXFOBOBSAIEYQW-UHFFFAOYSA-N
XLogP2.35
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide (CID 71802473) is 3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide is COc1cc(C(=O)Nc2ccc(F)c(F)c2F)on1.
What is the InChIKey of 3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is IXFOBOBSAIEYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3/c1-18-8-4-7(19-16-8)11(17)15-6-3-2-5(12)9(13)10(6)14/h2-4H,1H3,(H,15,17).
What are the key properties of 3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide?
3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 272.18 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2,3,4-trifluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).