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

C17H14F3N3O4 — CID 123616731

IUPACN-methyl-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(OC2=C[C@@H](c3ccc(OC(F)(F)F)cc3)ON2)cn1
InChIInChI=1S/C17H14F3N3O4/c1-21-16(24)13-7-6-12(9-22-13)25-15-8-14(27-23-15)10-2-4-11(5-3-10)26-17(18,19)20/h2-9,14,23H,1H3,(H,21,24)/t14-/m0/s1
InChIKeyINHUGCRASJBLEE-AWEZNQCLSA-N
MW381.31 g/mol
LogP2.84
Rot. Bonds5

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

N-methyl-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide (PubChem CID 123616731) has the molecular formula C17H14F3N3O4 and a molecular weight of 381.31 g/mol. Its IUPAC name is N-methyl-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
PubChem CID123616731
Molecular FormulaC17H14F3N3O4
Molecular Weight381.31 g/mol
Exact Mass381.09
IUPAC NameN-methyl-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(OC2=C[C@@H](c3ccc(OC(F)(F)F)cc3)ON2)cn1
InChIInChI=1S/C17H14F3N3O4/c1-21-16(24)13-7-6-12(9-22-13)25-15-8-14(27-23-15)10-2-4-11(5-3-10)26-17(18,19)20/h2-9,14,23H,1H3,(H,21,24)/t14-/m0/s1
InChIKeyINHUGCRASJBLEE-AWEZNQCLSA-N
XLogP2.84
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide (CID 123616731) is N-methyl-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-methyl-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1ccc(OC2=C[C@@H](c3ccc(OC(F)(F)F)cc3)ON2)cn1.
What is the InChIKey of N-methyl-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
The InChIKey is INHUGCRASJBLEE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H14F3N3O4/c1-21-16(24)13-7-6-12(9-22-13)25-15-8-14(27-23-15)10-2-4-11(5-3-10)26-17(18,19)20/h2-9,14,23H,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-methyl-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
N-methyl-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide has a molecular weight of 381.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(5S)-5-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 123616731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).