N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide

C18H16F6N4O2 — CID 118307965

IUPACN-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide
SMILESC[C@]1(F)CC(F)(F)[C@@](C)(c2cc(NC(=O)c3coc(C(F)F)n3)ccc2F)N=C1N
InChIInChI=1S/C18H16F6N4O2/c1-16(22)7-18(23,24)17(2,28-15(16)25)9-5-8(3-4-10(9)19)26-13(29)11-6-30-14(27-11)12(20)21/h3-6,12H,7H2,1-2H3,(H2,25,28)(H,26,29)/t16-,17+/m0/s1
InChIKeyAZEVOUFIGCGOAJ-DLBZAZTESA-N
MW434.34 g/mol
LogP4.34
Rot. Bonds4

About N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide

N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 118307965) has the molecular formula C18H16F6N4O2 and a molecular weight of 434.34 g/mol. Its IUPAC name is N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID118307965
Molecular FormulaC18H16F6N4O2
Molecular Weight434.34 g/mol
Exact Mass434.12
IUPAC NameN-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide
SMILESC[C@]1(F)CC(F)(F)[C@@](C)(c2cc(NC(=O)c3coc(C(F)F)n3)ccc2F)N=C1N
InChIInChI=1S/C18H16F6N4O2/c1-16(22)7-18(23,24)17(2,28-15(16)25)9-5-8(3-4-10(9)19)26-13(29)11-6-30-14(27-11)12(20)21/h3-6,12H,7H2,1-2H3,(H2,25,28)(H,26,29)/t16-,17+/m0/s1
InChIKeyAZEVOUFIGCGOAJ-DLBZAZTESA-N
XLogP4.34
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide (CID 118307965) is N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide is C[C@]1(F)CC(F)(F)[C@@](C)(c2cc(NC(=O)c3coc(C(F)F)n3)ccc2F)N=C1N.
What is the InChIKey of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is AZEVOUFIGCGOAJ-DLBZAZTESA-N. The full InChI is InChI=1S/C18H16F6N4O2/c1-16(22)7-18(23,24)17(2,28-15(16)25)9-5-8(3-4-10(9)19)26-13(29)11-6-30-14(27-11)12(20)21/h3-6,12H,7H2,1-2H3,(H2,25,28)(H,26,29)/t16-,17+/m0/s1.
What are the key properties of N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide?
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 434.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118307965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).