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

C16H9Cl2F2N3O2 — CID 10045531

IUPAC2,2-dichloro-N-[5-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
SMILESO=C(Nc1cncc(-c2cc(-c3c(F)cccc3F)no2)c1)C(Cl)Cl
InChIInChI=1S/C16H9Cl2F2N3O2/c17-15(18)16(24)22-9-4-8(6-21-7-9)13-5-12(23-25-13)14-10(19)2-1-3-11(14)20/h1-7,15H,(H,22,24)
InChIKeyMHEQNULOYOKLET-UHFFFAOYSA-N
MW384.17 g/mol
LogP4.42
Rot. Bonds4

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

2,2-dichloro-N-[5-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 10045531) has the molecular formula C16H9Cl2F2N3O2 and a molecular weight of 384.17 g/mol. Its IUPAC name is 2,2-dichloro-N-[5-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[5-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
PubChem CID10045531
Molecular FormulaC16H9Cl2F2N3O2
Molecular Weight384.17 g/mol
Exact Mass383.00
IUPAC Name2,2-dichloro-N-[5-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
SMILESO=C(Nc1cncc(-c2cc(-c3c(F)cccc3F)no2)c1)C(Cl)Cl
InChIInChI=1S/C16H9Cl2F2N3O2/c17-15(18)16(24)22-9-4-8(6-21-7-9)13-5-12(23-25-13)14-10(19)2-1-3-11(14)20/h1-7,15H,(H,22,24)
InChIKeyMHEQNULOYOKLET-UHFFFAOYSA-N
XLogP4.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.17
LogP ≤ 54.42
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-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[5-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide (CID 10045531) is 2,2-dichloro-N-[5-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[5-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[5-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide is O=C(Nc1cncc(-c2cc(-c3c(F)cccc3F)no2)c1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[5-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
The InChIKey is MHEQNULOYOKLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F2N3O2/c17-15(18)16(24)22-9-4-8(6-21-7-9)13-5-12(23-25-13)14-10(19)2-1-3-11(14)20/h1-7,15H,(H,22,24).
What are the key properties of 2,2-dichloro-N-[5-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
2,2-dichloro-N-[5-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 384.17 g/mol, XLogP of 4.42, 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-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 10045531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).