N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide

C18H16F3N3O4 — CID 91554671

IUPACN,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(OC2=CC(c3ccc(OC(F)(F)F)cc3)ON2)cn1
InChIInChI=1S/C18H16F3N3O4/c1-24(2)17(25)14-8-7-13(10-22-14)26-16-9-15(28-23-16)11-3-5-12(6-4-11)27-18(19,20)21/h3-10,15,23H,1-2H3
InChIKeyOMNDCUVLLQVCMO-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.18
Rot. Bonds5

About N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide

N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide (PubChem CID 91554671) has the molecular formula C18H16F3N3O4 and a molecular weight of 395.34 g/mol. Its IUPAC name is N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
PubChem CID91554671
Molecular FormulaC18H16F3N3O4
Molecular Weight395.34 g/mol
Exact Mass395.11
IUPAC NameN,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(OC2=CC(c3ccc(OC(F)(F)F)cc3)ON2)cn1
InChIInChI=1S/C18H16F3N3O4/c1-24(2)17(25)14-8-7-13(10-22-14)26-16-9-15(28-23-16)11-3-5-12(6-4-11)27-18(19,20)21/h3-10,15,23H,1-2H3
InChIKeyOMNDCUVLLQVCMO-UHFFFAOYSA-N
XLogP3.18
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide (CID 91554671) is N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide is CN(C)C(=O)c1ccc(OC2=CC(c3ccc(OC(F)(F)F)cc3)ON2)cn1.
What is the InChIKey of N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
The InChIKey is OMNDCUVLLQVCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O4/c1-24(2)17(25)14-8-7-13(10-22-14)26-16-9-15(28-23-16)11-3-5-12(6-4-11)27-18(19,20)21/h3-10,15,23H,1-2H3.
What are the key properties of N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide has a molecular weight of 395.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 91554671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).