N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

C15H18F3N5O5 — CID 177015424

IUPACN-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1ncco1
InChIInChI=1S/C10H14N2O5.C5H4F3N3/c13-6-1-3-16-7(8(6)14)5-12-9(15)10-11-2-4-17-10;6-5(7,8)3-1-10-2-4(9)11-3/h2,4,6-8,13-14H,1,3,5H2,(H,12,15);1-2H,(H2,9,11)
InChIKeyACGULJOOWBNOFL-UHFFFAOYSA-N
MW405.33 g/mol
LogP-0.01
Rot. Bonds3

About N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 177015424) has the molecular formula C15H18F3N5O5 and a molecular weight of 405.33 g/mol. Its IUPAC name is N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID177015424
Molecular FormulaC15H18F3N5O5
Molecular Weight405.33 g/mol
Exact Mass405.13
IUPAC NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1ncco1
InChIInChI=1S/C10H14N2O5.C5H4F3N3/c13-6-1-3-16-7(8(6)14)5-12-9(15)10-11-2-4-17-10;6-5(7,8)3-1-10-2-4(9)11-3/h2,4,6-8,13-14H,1,3,5H2,(H,12,15);1-2H,(H2,9,11)
InChIKeyACGULJOOWBNOFL-UHFFFAOYSA-N
XLogP-0.01
TPSA156.62 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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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
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
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

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (CID 177015424) is N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is Nc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1ncco1.
What is the InChIKey of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is ACGULJOOWBNOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5.C5H4F3N3/c13-6-1-3-16-7(8(6)14)5-12-9(15)10-11-2-4-17-10;6-5(7,8)3-1-10-2-4(9)11-3/h2,4,6-8,13-14H,1,3,5H2,(H,12,15);1-2H,(H2,9,11).
What are the key properties of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 405.33 g/mol, XLogP of -0.01, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyoxan-2-yl)methyl]-1,3-oxazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 177015424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).