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

C17H20F3N3O2 — CID 17457499

IUPACN-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C17H20F3N3O2/c1-5-23(6-2)14-8-7-12(17(18,19)20)9-13(14)21-16(24)15-10(3)22-25-11(15)4/h7-9H,5-6H2,1-4H3,(H,21,24)
InChIKeyREIIJROUGCCQQF-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.41
Rot. Bonds5

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

N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 17457499) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID17457499
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C17H20F3N3O2/c1-5-23(6-2)14-8-7-12(17(18,19)20)9-13(14)21-16(24)15-10(3)22-25-11(15)4/h7-9H,5-6H2,1-4H3,(H,21,24)
InChIKeyREIIJROUGCCQQF-UHFFFAOYSA-N
XLogP4.41
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 17457499) is N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1c(C)noc1C.
What is the InChIKey of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is REIIJROUGCCQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-5-23(6-2)14-8-7-12(17(18,19)20)9-13(14)21-16(24)15-10(3)22-25-11(15)4/h7-9H,5-6H2,1-4H3,(H,21,24).
What are the key properties of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17457499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).