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

C16H15F3N2O3 — CID 126811277

IUPACN-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1cc(-c2ccccc2C(F)(F)F)on1
InChIInChI=1S/C16H15F3N2O3/c17-16(18,19)12-4-2-1-3-11(12)14-9-13(21-24-14)15(22)20-10-5-7-23-8-6-10/h1-4,9-10H,5-8H2,(H,20,22)
InChIKeyHXWUMCDJAXTCHW-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.27
Rot. Bonds3

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

N-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 126811277) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is N-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID126811277
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC NameN-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1cc(-c2ccccc2C(F)(F)F)on1
InChIInChI=1S/C16H15F3N2O3/c17-16(18,19)12-4-2-1-3-11(12)14-9-13(21-24-14)15(22)20-10-5-7-23-8-6-10/h1-4,9-10H,5-8H2,(H,20,22)
InChIKeyHXWUMCDJAXTCHW-UHFFFAOYSA-N
XLogP3.27
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 126811277) is N-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(NC1CCOCC1)c1cc(-c2ccccc2C(F)(F)F)on1.
What is the InChIKey of N-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HXWUMCDJAXTCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c17-16(18,19)12-4-2-1-3-11(12)14-9-13(21-24-14)15(22)20-10-5-7-23-8-6-10/h1-4,9-10H,5-8H2,(H,20,22).
What are the key properties of N-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
N-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-5-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126811277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).