N-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide

C18H15F3N4O5 — CID 123157281

IUPACN-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
SMILESNC(=O)CNC(=O)c1ccc(OC2=C[C@@H](c3ccc(OC(F)(F)F)cc3)ON2)cn1
InChIInChI=1S/C18H15F3N4O5/c19-18(20,21)29-11-3-1-10(2-4-11)14-7-16(25-30-14)28-12-5-6-13(23-8-12)17(27)24-9-15(22)26/h1-8,14,25H,9H2,(H2,22,26)(H,24,27)/t14-/m0/s1
InChIKeyLMNPQTPTZAQJNU-AWEZNQCLSA-N
MW424.34 g/mol
LogP1.69
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide

N-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide (PubChem CID 123157281) has the molecular formula C18H15F3N4O5 and a molecular weight of 424.34 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
PubChem CID123157281
Molecular FormulaC18H15F3N4O5
Molecular Weight424.34 g/mol
Exact Mass424.10
IUPAC NameN-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
SMILESNC(=O)CNC(=O)c1ccc(OC2=C[C@@H](c3ccc(OC(F)(F)F)cc3)ON2)cn1
InChIInChI=1S/C18H15F3N4O5/c19-18(20,21)29-11-3-1-10(2-4-11)14-7-16(25-30-14)28-12-5-6-13(23-8-12)17(27)24-9-15(22)26/h1-8,14,25H,9H2,(H2,22,26)(H,24,27)/t14-/m0/s1
InChIKeyLMNPQTPTZAQJNU-AWEZNQCLSA-N
XLogP1.69
TPSA124.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.34
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide (CID 123157281) is N-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide is NC(=O)CNC(=O)c1ccc(OC2=C[C@@H](c3ccc(OC(F)(F)F)cc3)ON2)cn1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
The InChIKey is LMNPQTPTZAQJNU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H15F3N4O5/c19-18(20,21)29-11-3-1-10(2-4-11)14-7-16(25-30-14)28-12-5-6-13(23-8-12)17(27)24-9-15(22)26/h1-8,14,25H,9H2,(H2,22,26)(H,24,27)/t14-/m0/s1.
What are the key properties of N-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
N-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide has a molecular weight of 424.34 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 123157281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).