2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide

C17H9Cl2F4N3O2 — CID 10365604

IUPAC2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
SMILESO=C(Nc1cncc(-c2cc(-c3c(F)cccc3C(F)(F)F)no2)c1)C(Cl)Cl
InChIInChI=1S/C17H9Cl2F4N3O2/c18-15(19)16(27)25-9-4-8(6-24-7-9)13-5-12(26-28-13)14-10(17(21,22)23)2-1-3-11(14)20/h1-7,15H,(H,25,27)
InChIKeyAVBAYRLFQNBTOV-UHFFFAOYSA-N
MW434.18 g/mol
LogP5.30
Rot. Bonds4

About 2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide

2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 10365604) has the molecular formula C17H9Cl2F4N3O2 and a molecular weight of 434.18 g/mol. Its IUPAC name is 2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
PubChem CID10365604
Molecular FormulaC17H9Cl2F4N3O2
Molecular Weight434.18 g/mol
Exact Mass433.00
IUPAC Name2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
SMILESO=C(Nc1cncc(-c2cc(-c3c(F)cccc3C(F)(F)F)no2)c1)C(Cl)Cl
InChIInChI=1S/C17H9Cl2F4N3O2/c18-15(19)16(27)25-9-4-8(6-24-7-9)13-5-12(26-28-13)14-10(17(21,22)23)2-1-3-11(14)20/h1-7,15H,(H,25,27)
InChIKeyAVBAYRLFQNBTOV-UHFFFAOYSA-N
XLogP5.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.18
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide (CID 10365604) is 2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide is O=C(Nc1cncc(-c2cc(-c3c(F)cccc3C(F)(F)F)no2)c1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
The InChIKey is AVBAYRLFQNBTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F4N3O2/c18-15(19)16(27)25-9-4-8(6-24-7-9)13-5-12(26-28-13)14-10(17(21,22)23)2-1-3-11(14)20/h1-7,15H,(H,25,27).
What are the key properties of 2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 434.18 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 10365604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).