methyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate

C17H15F3N2O4 — CID 162551203

IUPACmethyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1N=C(c2ccc(OC)c3nc(C(F)(F)F)ccc23)O[C@H]1C
InChIInChI=1S/C17H15F3N2O4/c1-8-13(16(23)25-3)22-15(26-8)10-4-6-11(24-2)14-9(10)5-7-12(21-14)17(18,19)20/h4-8,13H,1-3H3/t8-,13?/m0/s1
InChIKeyOGPUJBWCBWLZBS-OADYLZGLSA-N
MW368.31 g/mol
LogP2.97
Rot. Bonds3

About methyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 162551203) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is methyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID162551203
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Namemethyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1N=C(c2ccc(OC)c3nc(C(F)(F)F)ccc23)O[C@H]1C
InChIInChI=1S/C17H15F3N2O4/c1-8-13(16(23)25-3)22-15(26-8)10-4-6-11(24-2)14-9(10)5-7-12(21-14)17(18,19)20/h4-8,13H,1-3H3/t8-,13?/m0/s1
InChIKeyOGPUJBWCBWLZBS-OADYLZGLSA-N
XLogP2.97
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 162551203) is methyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)C1N=C(c2ccc(OC)c3nc(C(F)(F)F)ccc23)O[C@H]1C.
What is the InChIKey of methyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is OGPUJBWCBWLZBS-OADYLZGLSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-8-13(16(23)25-3)22-15(26-8)10-4-6-11(24-2)14-9(10)5-7-12(21-14)17(18,19)20/h4-8,13H,1-3H3/t8-,13?/m0/s1.
What are the key properties of methyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 368.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 162551203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).