N-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

C20H17F3N2O3 — CID 84553355

IUPACN-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H17F3N2O3/c1-12(2)28-17-6-4-3-5-15(17)24-18(26)16-11-27-19(25-16)13-7-9-14(10-8-13)20(21,22)23/h3-12H,1-2H3,(H,24,26)
InChIKeyPOEKWEILDJSCLC-UHFFFAOYSA-N
MW390.36 g/mol
LogP5.40
Rot. Bonds5

About N-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide

N-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 84553355) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID84553355
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC NameN-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H17F3N2O3/c1-12(2)28-17-6-4-3-5-15(17)24-18(26)16-11-27-19(25-16)13-7-9-14(10-8-13)20(21,22)23/h3-12H,1-2H3,(H,24,26)
InChIKeyPOEKWEILDJSCLC-UHFFFAOYSA-N
XLogP5.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.36
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553338
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553281
N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553453
N-[4-(pyridin-4-ylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553376
6-N-propan-2-yl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109093744
6-N-tert-butyl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109099182
N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 110693809
N-(5-bromo-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553465
2-chloro-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide
CID 106685838
5-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 38999572
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 87342724

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide (CID 84553355) is N-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is CC(C)Oc1ccccc1NC(=O)c1coc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is POEKWEILDJSCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-12(2)28-17-6-4-3-5-15(17)24-18(26)16-11-27-19(25-16)13-7-9-14(10-8-13)20(21,22)23/h3-12H,1-2H3,(H,24,26).
What are the key properties of N-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide?
N-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 390.36 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84553355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).