3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

C18H12F4N2O2 — CID 175455593

IUPAC3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2F)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F4N2O2/c1-10-15(16(24-26-10)13-7-2-3-8-14(13)19)17(25)23-12-6-4-5-11(9-12)18(20,21)22/h2-9H,1H3,(H,23,25)
InChIKeyVSXAVRLDAAZIMX-UHFFFAOYSA-N
MW364.30 g/mol
LogP5.06
Rot. Bonds3

About 3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 175455593) has the molecular formula C18H12F4N2O2 and a molecular weight of 364.30 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID175455593
Molecular FormulaC18H12F4N2O2
Molecular Weight364.30 g/mol
Exact Mass364.08
IUPAC Name3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2F)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F4N2O2/c1-10-15(16(24-26-10)13-7-2-3-8-14(13)19)17(25)23-12-6-4-5-11(9-12)18(20,21)22/h2-9H,1H3,(H,23,25)
InChIKeyVSXAVRLDAAZIMX-UHFFFAOYSA-N
XLogP5.06
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.30
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 175455593) is 3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2F)c1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is VSXAVRLDAAZIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O2/c1-10-15(16(24-26-10)13-7-2-3-8-14(13)19)17(25)23-12-6-4-5-11(9-12)18(20,21)22/h2-9H,1H3,(H,23,25).
What are the key properties of 3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 364.30 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 175455593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).