5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C19H15F6N3O4 — CID 90970036

IUPAC5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCC1(c2ccc(OC(F)(F)F)cc2)C=C(Oc2ccc(C(=O)NCC(F)(F)F)nc2)NO1
InChIInChI=1S/C19H15F6N3O4/c1-17(11-2-4-12(5-3-11)31-19(23,24)25)8-15(28-32-17)30-13-6-7-14(26-9-13)16(29)27-10-18(20,21)22/h2-9,28H,10H2,1H3,(H,27,29)
InChIKeyZJEJROJPNZSGMQ-UHFFFAOYSA-N
MW463.33 g/mol
LogP3.94
Rot. Bonds6

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

5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 90970036) has the molecular formula C19H15F6N3O4 and a molecular weight of 463.33 g/mol. Its IUPAC name is 5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID90970036
Molecular FormulaC19H15F6N3O4
Molecular Weight463.33 g/mol
Exact Mass463.10
IUPAC Name5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCC1(c2ccc(OC(F)(F)F)cc2)C=C(Oc2ccc(C(=O)NCC(F)(F)F)nc2)NO1
InChIInChI=1S/C19H15F6N3O4/c1-17(11-2-4-12(5-3-11)31-19(23,24)25)8-15(28-32-17)30-13-6-7-14(26-9-13)16(29)27-10-18(20,21)22/h2-9,28H,10H2,1H3,(H,27,29)
InChIKeyZJEJROJPNZSGMQ-UHFFFAOYSA-N
XLogP3.94
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.33
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 90970036) is 5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CC1(c2ccc(OC(F)(F)F)cc2)C=C(Oc2ccc(C(=O)NCC(F)(F)F)nc2)NO1.
What is the InChIKey of 5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is ZJEJROJPNZSGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N3O4/c1-17(11-2-4-12(5-3-11)31-19(23,24)25)8-15(28-32-17)30-13-6-7-14(26-9-13)16(29)27-10-18(20,21)22/h2-9,28H,10H2,1H3,(H,27,29).
What are the key properties of 5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 463.33 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 90970036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).