2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide

C21H20F3N3O2 — CID 138465059

IUPAC2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(-c2cc(CNC(=O)c3ccc(C(F)(F)F)nc3C)on2)c(C)c1
InChIInChI=1S/C21H20F3N3O2/c1-11-7-12(2)19(13(3)8-11)17-9-15(29-27-17)10-25-20(28)16-5-6-18(21(22,23)24)26-14(16)4/h5-9H,10H2,1-4H3,(H,25,28)
InChIKeyOOUVCTCBRURZHS-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.92
Rot. Bonds4

About 2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide

2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 138465059) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
PubChem CID138465059
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Name2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(-c2cc(CNC(=O)c3ccc(C(F)(F)F)nc3C)on2)c(C)c1
InChIInChI=1S/C21H20F3N3O2/c1-11-7-12(2)19(13(3)8-11)17-9-15(29-27-17)10-25-20(28)16-5-6-18(21(22,23)24)26-14(16)4/h5-9H,10H2,1-4H3,(H,25,28)
InChIKeyOOUVCTCBRURZHS-UHFFFAOYSA-N
XLogP4.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide (CID 138465059) is 2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide is Cc1cc(C)c(-c2cc(CNC(=O)c3ccc(C(F)(F)F)nc3C)on2)c(C)c1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
The InChIKey is OOUVCTCBRURZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-11-7-12(2)19(13(3)8-11)17-9-15(29-27-17)10-25-20(28)16-5-6-18(21(22,23)24)26-14(16)4/h5-9H,10H2,1-4H3,(H,25,28).
What are the key properties of 2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide?
2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-N-[[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 138465059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).