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

C18H18F3N5O3 — CID 136589758

IUPAC3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1nn(C)c(OCC(F)(F)F)c1-c1noc(C)c1C(=O)NCc1ccccn1
InChIInChI=1S/C18H18F3N5O3/c1-10-13(17(26(3)24-10)28-9-18(19,20)21)15-14(11(2)29-25-15)16(27)23-8-12-6-4-5-7-22-12/h4-7H,8-9H2,1-3H3,(H,23,27)
InChIKeyRWUXKRQIYOMECG-UHFFFAOYSA-N
MW409.37 g/mol
LogP2.96
Rot. Bonds6

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

3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 136589758) has the molecular formula C18H18F3N5O3 and a molecular weight of 409.37 g/mol. Its IUPAC name is 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID136589758
Molecular FormulaC18H18F3N5O3
Molecular Weight409.37 g/mol
Exact Mass409.14
IUPAC Name3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1nn(C)c(OCC(F)(F)F)c1-c1noc(C)c1C(=O)NCc1ccccn1
InChIInChI=1S/C18H18F3N5O3/c1-10-13(17(26(3)24-10)28-9-18(19,20)21)15-14(11(2)29-25-15)16(27)23-8-12-6-4-5-7-22-12/h4-7H,8-9H2,1-3H3,(H,23,27)
InChIKeyRWUXKRQIYOMECG-UHFFFAOYSA-N
XLogP2.96
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 136589712
3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 136590484
[3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-1,2-oxazol-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 136590485
1-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19578739
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 13037178
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047624
4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide
CID 88577776
6-methyl-4-oxo-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-furo[2,3-d]pyrimidine-5-carboxamide
CID 143746696
5-methyl-3-pyridin-2-yl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 53001861
ethyl 1-ethyl-3,5-dimethyl-4-(pyridin-2-ylmethylcarbamoyl)pyrrole-2-carboxylate
CID 3243321

Frequently Asked Questions

What is the IUPAC name of 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 136589758) is 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-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-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1nn(C)c(OCC(F)(F)F)c1-c1noc(C)c1C(=O)NCc1ccccn1.
What is the InChIKey of 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is RWUXKRQIYOMECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O3/c1-10-13(17(26(3)24-10)28-9-18(19,20)21)15-14(11(2)29-25-15)16(27)23-8-12-6-4-5-7-22-12/h4-7H,8-9H2,1-3H3,(H,23,27).
What are the key properties of 3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
3-[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]-5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 136589758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).