4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide

C19H13F5N2O2 — CID 146121961

IUPAC4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C19H13F5N2O2/c20-13-4-1-11(2-5-13)18-26-14(10-28-18)7-8-25-17(27)12-3-6-16(21)15(9-12)19(22,23)24/h1-6,9-10H,7-8H2,(H,25,27)
InChIKeyWDQWNIBGDYZQTM-UHFFFAOYSA-N
MW396.32 g/mol
LogP4.61
Rot. Bonds5

About 4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide

4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 146121961) has the molecular formula C19H13F5N2O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID146121961
Molecular FormulaC19H13F5N2O2
Molecular Weight396.32 g/mol
Exact Mass396.09
IUPAC Name4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C19H13F5N2O2/c20-13-4-1-11(2-5-13)18-26-14(10-28-18)7-8-25-17(27)12-3-6-16(21)15(9-12)19(22,23)24/h1-6,9-10H,7-8H2,(H,25,27)
InChIKeyWDQWNIBGDYZQTM-UHFFFAOYSA-N
XLogP4.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 146121971
2,5-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 52855097
2,3-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122387
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2,4-dimethylbenzamide
CID 154805699
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-methoxy-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 162564621
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
1-(4-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 51133166
3-[2-[[N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111634257
3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122824
3-methoxy-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122399
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 78993906
N-tert-butyl-2-[[ethylamino-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylamino]methylidene]amino]acetamide
CID 111385862

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide (CID 146121961) is 4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide is O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is WDQWNIBGDYZQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N2O2/c20-13-4-1-11(2-5-13)18-26-14(10-28-18)7-8-25-17(27)12-3-6-16(21)15(9-12)19(22,23)24/h1-6,9-10H,7-8H2,(H,25,27).
What are the key properties of 4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide?
4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 396.32 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 146121961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).