(2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide

C17H13F6N3O6 — CID 51361655

IUPAC(2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C17H13F6N3O6/c18-16(19,20)6-3-7(17(21,22)23)5-8(4-6)24-13(30)12-10(28)11(29)14(32-12)26-2-1-9(27)25-15(26)31/h1-5,10-12,14,28-29H,(H,24,30)(H,25,27,31)/t10-,11+,12-,14+/m0/s1
InChIKeyMNPQQYIKSLOUGF-KZVDOYCCSA-N
MW469.29 g/mol
LogP0.83
Rot. Bonds3

About (2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide

(2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide (PubChem CID 51361655) has the molecular formula C17H13F6N3O6 and a molecular weight of 469.29 g/mol. Its IUPAC name is (2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
PubChem CID51361655
Molecular FormulaC17H13F6N3O6
Molecular Weight469.29 g/mol
Exact Mass469.07
IUPAC Name(2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C17H13F6N3O6/c18-16(19,20)6-3-7(17(21,22)23)5-8(4-6)24-13(30)12-10(28)11(29)14(32-12)26-2-1-9(27)25-15(26)31/h1-5,10-12,14,28-29H,(H,24,30)(H,25,27,31)/t10-,11+,12-,14+/m0/s1
InChIKeyMNPQQYIKSLOUGF-KZVDOYCCSA-N
XLogP0.83
TPSA133.65 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.29
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
The IUPAC name of (2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide (CID 51361655) is (2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide.
What is the SMILES notation for (2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
The canonical SMILES for (2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
The InChIKey is MNPQQYIKSLOUGF-KZVDOYCCSA-N. The full InChI is InChI=1S/C17H13F6N3O6/c18-16(19,20)6-3-7(17(21,22)23)5-8(4-6)24-13(30)12-10(28)11(29)14(32-12)26-2-1-9(27)25-15(26)31/h1-5,10-12,14,28-29H,(H,24,30)(H,25,27,31)/t10-,11+,12-,14+/m0/s1.
What are the key properties of (2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide?
(2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide has a molecular weight of 469.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-N-[3,5-bis(trifluoromethyl)phenyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide is sourced from PubChem (CID 51361655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).