methyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate

C20H17F3N4O4 — CID 16757298

IUPACmethyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate
SMILESCOC(=O)CN(C)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1
InChIInChI=1S/C20H17F3N4O4/c1-27(11-15(28)30-2)14-9-8-13(10-24-14)25-18(29)16-17(20(21,22)23)31-19(26-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,25,29)
InChIKeyBHUAGIWMOBTBND-UHFFFAOYSA-N
MW434.37 g/mol
LogP3.62
Rot. Bonds6

About methyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate

methyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate (PubChem CID 16757298) has the molecular formula C20H17F3N4O4 and a molecular weight of 434.37 g/mol. Its IUPAC name is methyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate
PubChem CID16757298
Molecular FormulaC20H17F3N4O4
Molecular Weight434.37 g/mol
Exact Mass434.12
IUPAC Namemethyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate
SMILESCOC(=O)CN(C)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1
InChIInChI=1S/C20H17F3N4O4/c1-27(11-15(28)30-2)14-9-8-13(10-24-14)25-18(29)16-17(20(21,22)23)31-19(26-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,25,29)
InChIKeyBHUAGIWMOBTBND-UHFFFAOYSA-N
XLogP3.62
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate (CID 16757298) is methyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate is COC(=O)CN(C)c1ccc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1.
What is the InChIKey of methyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate?
The InChIKey is BHUAGIWMOBTBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O4/c1-27(11-15(28)30-2)14-9-8-13(10-24-14)25-18(29)16-17(20(21,22)23)31-19(26-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,25,29).
What are the key properties of methyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate?
methyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate has a molecular weight of 434.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]amino]acetate is sourced from PubChem (CID 16757298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).