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

C17H12Cl2FN3O3 — CID 10023630

IUPAC2,2-dichloro-N-[5-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
SMILESCOc1cccc(F)c1-c1cc(-c2cncc(NC(=O)C(Cl)Cl)c2)on1
InChIInChI=1S/C17H12Cl2FN3O3/c1-25-13-4-2-3-11(20)15(13)12-6-14(26-23-12)9-5-10(8-21-7-9)22-17(24)16(18)19/h2-8,16H,1H3,(H,22,24)
InChIKeyPGTJQSSPFCPVSQ-UHFFFAOYSA-N
MW396.21 g/mol
LogP4.29
Rot. Bonds5

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

2,2-dichloro-N-[5-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 10023630) has the molecular formula C17H12Cl2FN3O3 and a molecular weight of 396.21 g/mol. Its IUPAC name is 2,2-dichloro-N-[5-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[5-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
PubChem CID10023630
Molecular FormulaC17H12Cl2FN3O3
Molecular Weight396.21 g/mol
Exact Mass395.02
IUPAC Name2,2-dichloro-N-[5-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
SMILESCOc1cccc(F)c1-c1cc(-c2cncc(NC(=O)C(Cl)Cl)c2)on1
InChIInChI=1S/C17H12Cl2FN3O3/c1-25-13-4-2-3-11(20)15(13)12-6-14(26-23-12)9-5-10(8-21-7-9)22-17(24)16(18)19/h2-8,16H,1H3,(H,22,24)
InChIKeyPGTJQSSPFCPVSQ-UHFFFAOYSA-N
XLogP4.29
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.21
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[5-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide (CID 10023630) is 2,2-dichloro-N-[5-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[5-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[5-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide is COc1cccc(F)c1-c1cc(-c2cncc(NC(=O)C(Cl)Cl)c2)on1.
What is the InChIKey of 2,2-dichloro-N-[5-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
The InChIKey is PGTJQSSPFCPVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O3/c1-25-13-4-2-3-11(20)15(13)12-6-14(26-23-12)9-5-10(8-21-7-9)22-17(24)16(18)19/h2-8,16H,1H3,(H,22,24).
What are the key properties of 2,2-dichloro-N-[5-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
2,2-dichloro-N-[5-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 396.21 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[5-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 10023630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).