3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide

C16H17F3N6O4 — CID 136589760

IUPAC3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1nonc1CNC(=O)c1c(-c2c(C)nn(C)c2OCC(F)(F)F)noc1C
InChIInChI=1S/C16H17F3N6O4/c1-7-10(23-29-22-7)5-20-14(26)12-9(3)28-24-13(12)11-8(2)21-25(4)15(11)27-6-16(17,18)19/h5-6H2,1-4H3,(H,20,26)
InChIKeyAFWSBBFNVBYDHW-UHFFFAOYSA-N
MW414.34 g/mol
LogP2.25
Rot. Bonds6

About 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide

3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 136589760) has the molecular formula C16H17F3N6O4 and a molecular weight of 414.34 g/mol. Its IUPAC name is 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID136589760
Molecular FormulaC16H17F3N6O4
Molecular Weight414.34 g/mol
Exact Mass414.13
IUPAC Name3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1nonc1CNC(=O)c1c(-c2c(C)nn(C)c2OCC(F)(F)F)noc1C
InChIInChI=1S/C16H17F3N6O4/c1-7-10(23-29-22-7)5-20-14(26)12-9(3)28-24-13(12)11-8(2)21-25(4)15(11)27-6-16(17,18)19/h5-6H2,1-4H3,(H,20,26)
InChIKeyAFWSBBFNVBYDHW-UHFFFAOYSA-N
XLogP2.25
TPSA121.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide (CID 136589760) is 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1nonc1CNC(=O)c1c(-c2c(C)nn(C)c2OCC(F)(F)F)noc1C.
What is the InChIKey of 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is AFWSBBFNVBYDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O4/c1-7-10(23-29-22-7)5-20-14(26)12-9(3)28-24-13(12)11-8(2)21-25(4)15(11)27-6-16(17,18)19/h5-6H2,1-4H3,(H,20,26).
What are the key properties of 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide?
3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 414.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 136589760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).