N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide

C17H12ClF3N2O4 — CID 17254308

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide
SMILESO=C(COCc1cc(-c2ccco2)on1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H12ClF3N2O4/c18-12-4-3-10(17(19,20)21)6-13(12)22-16(24)9-25-8-11-7-15(27-23-11)14-2-1-5-26-14/h1-7H,8-9H2,(H,22,24)
InChIKeyRYXIYIIFXUBYNQ-UHFFFAOYSA-N
MW400.74 g/mol
LogP4.76
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide (PubChem CID 17254308) has the molecular formula C17H12ClF3N2O4 and a molecular weight of 400.74 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide
PubChem CID17254308
Molecular FormulaC17H12ClF3N2O4
Molecular Weight400.74 g/mol
Exact Mass400.04
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide
SMILESO=C(COCc1cc(-c2ccco2)on1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H12ClF3N2O4/c18-12-4-3-10(17(19,20)21)6-13(12)22-16(24)9-25-8-11-7-15(27-23-11)14-2-1-5-26-14/h1-7H,8-9H2,(H,22,24)
InChIKeyRYXIYIIFXUBYNQ-UHFFFAOYSA-N
XLogP4.76
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.74
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 2631675
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate
CID 7407565
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate
CID 40752868
1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone
CID 20906381
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777191
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7698344
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2357066
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 747189
N-(2-fluorophenyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 17254206
5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17252743
2-(benzylideneamino)oxy-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2336634

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide (CID 17254308) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide is O=C(COCc1cc(-c2ccco2)on1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide?
The InChIKey is RYXIYIIFXUBYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O4/c18-12-4-3-10(17(19,20)21)6-13(12)22-16(24)9-25-8-11-7-15(27-23-11)14-2-1-5-26-14/h1-7H,8-9H2,(H,22,24).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide has a molecular weight of 400.74 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide is sourced from PubChem (CID 17254308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).