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

C18H12Cl2F3N3O3 — CID 10388846

IUPAC2,2-dichloro-N-[5-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
SMILESCOc1cccc(C(F)(F)F)c1-c1cc(-c2cncc(NC(=O)C(Cl)Cl)c2)on1
InChIInChI=1S/C18H12Cl2F3N3O3/c1-28-13-4-2-3-11(18(21,22)23)15(13)12-6-14(29-26-12)9-5-10(8-24-7-9)25-17(27)16(19)20/h2-8,16H,1H3,(H,25,27)
InChIKeyRTDZBMZHHRJUOZ-UHFFFAOYSA-N
MW446.21 g/mol
LogP5.17
Rot. Bonds5

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

2,2-dichloro-N-[5-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 10388846) has the molecular formula C18H12Cl2F3N3O3 and a molecular weight of 446.21 g/mol. Its IUPAC name is 2,2-dichloro-N-[5-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[5-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
PubChem CID10388846
Molecular FormulaC18H12Cl2F3N3O3
Molecular Weight446.21 g/mol
Exact Mass445.02
IUPAC Name2,2-dichloro-N-[5-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
SMILESCOc1cccc(C(F)(F)F)c1-c1cc(-c2cncc(NC(=O)C(Cl)Cl)c2)on1
InChIInChI=1S/C18H12Cl2F3N3O3/c1-28-13-4-2-3-11(18(21,22)23)15(13)12-6-14(29-26-12)9-5-10(8-24-7-9)25-17(27)16(19)20/h2-8,16H,1H3,(H,25,27)
InChIKeyRTDZBMZHHRJUOZ-UHFFFAOYSA-N
XLogP5.17
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.21
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloropyridin-3-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604840
[5-(3-methoxyphenyl)isoxazol-3-yl]-N-(3-pyridyl)carboxamide
CID 4519032
N-(2-chloropyridin-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685904
Acetamide, 2,2-dichloro-N-[3-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-5-isoxazolyl]phenyl]-
CID 3007259
4-Methoxy-2-methyl-N-[3-(2-pyridyl)-5-isoxazolyl]benzamide
CID 53143145
(7-methoxy(4,5-dihydronaphtho[2,1-d]isoxazol-3-yl))-N-(3-pyridyl)carboxamide
CID 6621302
2-(5-(3-methoxyphenyl)isoxazol-3-yl)-N-(pyridin-3-yl)acetamide
CID 16879047
3-(3-methoxyphenyl)-N-(pyridin-3-yl)-1,2-oxazole-5-carboxamide
CID 17096007
4-Methoxy-2-methyl-N-[3-(pyridin-3-YL)-1,2-oxazol-5-YL]benzamide
CID 53143071
2,2-dichloro-N-[5-[3-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
CID 10023630
2,2-dichloro-N-[5-[3-(2,6-difluorophenyl)-1,2-oxazol-5-yl]-3-pyridinyl]acetamide
CID 10045531
2,2-dichloro-N-[5-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]pyridin-3-yl]acetamide
CID 10365604

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[5-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[5-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide (CID 10388846) is 2,2-dichloro-N-[5-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[5-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[5-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide is COc1cccc(C(F)(F)F)c1-c1cc(-c2cncc(NC(=O)C(Cl)Cl)c2)on1.
What is the InChIKey of 2,2-dichloro-N-[5-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
The InChIKey is RTDZBMZHHRJUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3N3O3/c1-28-13-4-2-3-11(18(21,22)23)15(13)12-6-14(29-26-12)9-5-10(8-24-7-9)25-17(27)16(19)20/h2-8,16H,1H3,(H,25,27).
What are the key properties of 2,2-dichloro-N-[5-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide?
2,2-dichloro-N-[5-[3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 446.21 g/mol, XLogP of 5.17, 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-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 10388846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).