ethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate

C19H24F3N3O5 — CID 142616463

IUPACethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1=COC(c2ccnc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c2)N1C
InChIInChI=1S/C19H24F3N3O5/c1-6-28-16(26)13-10-29-15(24(13)5)12-7-8-23-14(9-12)25(11-19(20,21)22)17(27)30-18(2,3)4/h7-10,15H,6,11H2,1-5H3
InChIKeyRHVZTVRDOQKLNZ-UHFFFAOYSA-N
MW431.41 g/mol
LogP3.75
Rot. Bonds5

About ethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate

ethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate (PubChem CID 142616463) has the molecular formula C19H24F3N3O5 and a molecular weight of 431.41 g/mol. Its IUPAC name is ethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate
PubChem CID142616463
Molecular FormulaC19H24F3N3O5
Molecular Weight431.41 g/mol
Exact Mass431.17
IUPAC Nameethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)C1=COC(c2ccnc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c2)N1C
InChIInChI=1S/C19H24F3N3O5/c1-6-28-16(26)13-10-29-15(24(13)5)12-7-8-23-14(9-12)25(11-19(20,21)22)17(27)30-18(2,3)4/h7-10,15H,6,11H2,1-5H3
InChIKeyRHVZTVRDOQKLNZ-UHFFFAOYSA-N
XLogP3.75
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate (CID 142616463) is ethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate is CCOC(=O)C1=COC(c2ccnc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c2)N1C.
What is the InChIKey of ethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate?
The InChIKey is RHVZTVRDOQKLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O5/c1-6-28-16(26)13-10-29-15(24(13)5)12-7-8-23-14(9-12)25(11-19(20,21)22)17(27)30-18(2,3)4/h7-10,15H,6,11H2,1-5H3.
What are the key properties of ethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate?
ethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate has a molecular weight of 431.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-2H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 142616463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).