N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide

C15H16F3N5O5 — CID 176953365

IUPACN-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide
SMILESO=C(NC[C@H]1OC[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O)c1ncco1
InChIInChI=1S/C15H16F3N5O5/c16-15(17,18)9-4-19-5-10(23-9)22-7-6-28-8(12(25)11(7)24)3-21-13(26)14-20-1-2-27-14/h1-2,4-5,7-8,11-12,24-25H,3,6H2,(H,21,26)(H,22,23)/t7-,8+,11+,12-/m0/s1
InChIKeyBNUVFOYPYQHYTJ-MDSNHJATSA-N
MW403.32 g/mol
LogP-0.19
Rot. Bonds5

About N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide

N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide (PubChem CID 176953365) has the molecular formula C15H16F3N5O5 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide
PubChem CID176953365
Molecular FormulaC15H16F3N5O5
Molecular Weight403.32 g/mol
Exact Mass403.11
IUPAC NameN-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide
SMILESO=C(NC[C@H]1OC[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O)c1ncco1
InChIInChI=1S/C15H16F3N5O5/c16-15(17,18)9-4-19-5-10(23-9)22-7-6-28-8(12(25)11(7)24)3-21-13(26)14-20-1-2-27-14/h1-2,4-5,7-8,11-12,24-25H,3,6H2,(H,21,26)(H,22,23)/t7-,8+,11+,12-/m0/s1
InChIKeyBNUVFOYPYQHYTJ-MDSNHJATSA-N
XLogP-0.19
TPSA142.63 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide with MolForge

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Related Compounds

N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 171556685
N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557410
N-[[(2R,3R,4R)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide
CID 171558036
N-[[(2S,3R,4R)-4-hydroxy-3-methyl-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide
CID 171558463
2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4R)-4-[3-amino-5-(trifluoromethyl)pyrazin-2-yl]oxy-3-hydroxyoxan-2-yl]methyl]acetamide
CID 177015364
N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 177015424

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide (CID 176953365) is N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide is O=C(NC[C@H]1OC[C@H](Nc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O)c1ncco1.
What is the InChIKey of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide?
The InChIKey is BNUVFOYPYQHYTJ-MDSNHJATSA-N. The full InChI is InChI=1S/C15H16F3N5O5/c16-15(17,18)9-4-19-5-10(23-9)22-7-6-28-8(12(25)11(7)24)3-21-13(26)14-20-1-2-27-14/h1-2,4-5,7-8,11-12,24-25H,3,6H2,(H,21,26)(H,22,23)/t7-,8+,11+,12-/m0/s1.
What are the key properties of N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide?
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide has a molecular weight of 403.32 g/mol, XLogP of -0.19, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 176953365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).