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

C18H16F3N3O4 — CID 58126279

IUPACN-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(OC2=NO[C@](C)(c3ccc(OC(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C18H16F3N3O4/c1-17(11-3-5-12(6-4-11)27-18(19,20)21)9-15(24-28-17)26-13-7-8-14(23-10-13)16(25)22-2/h3-8,10H,9H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyVRBRVGXHRVJCEY-KRWDZBQOSA-N
MW395.34 g/mol
LogP3.37
Rot. Bonds4

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

N-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide (PubChem CID 58126279) has the molecular formula C18H16F3N3O4 and a molecular weight of 395.34 g/mol. Its IUPAC name is N-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
PubChem CID58126279
Molecular FormulaC18H16F3N3O4
Molecular Weight395.34 g/mol
Exact Mass395.11
IUPAC NameN-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(OC2=NO[C@](C)(c3ccc(OC(F)(F)F)cc3)C2)cn1
InChIInChI=1S/C18H16F3N3O4/c1-17(11-3-5-12(6-4-11)27-18(19,20)21)9-15(24-28-17)26-13-7-8-14(23-10-13)16(25)22-2/h3-8,10H,9H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyVRBRVGXHRVJCEY-KRWDZBQOSA-N
XLogP3.37
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide (CID 58126279) is N-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1ccc(OC2=NO[C@](C)(c3ccc(OC(F)(F)F)cc3)C2)cn1.
What is the InChIKey of N-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
The InChIKey is VRBRVGXHRVJCEY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16F3N3O4/c1-17(11-3-5-12(6-4-11)27-18(19,20)21)9-15(24-28-17)26-13-7-8-14(23-10-13)16(25)22-2/h3-8,10H,9H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of N-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide?
N-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide has a molecular weight of 395.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(5S)-5-methyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazol-3-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 58126279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).