2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide

C10H12F3N3O5 — CID 70264293

IUPAC2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1cnc([C@@H]2O[C@H](C(O)C(F)(F)F)[C@@H](O)[C@H]2O)[nH]1
InChIInChI=1S/C10H12F3N3O5/c11-10(12,13)7(19)5-3(17)4(18)6(21-5)9-15-1-2(16-9)8(14)20/h1,3-7,17-19H,(H2,14,20)(H,15,16)/t3-,4+,5-,6+,7?/m0/s1
InChIKeyZSVNDBDYULVDGG-GKYMIPFJSA-N
MW311.22 g/mol
LogP-1.41
Rot. Bonds3

About 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide

2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide (PubChem CID 70264293) has the molecular formula C10H12F3N3O5 and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
PubChem CID70264293
Molecular FormulaC10H12F3N3O5
Molecular Weight311.22 g/mol
Exact Mass311.07
IUPAC Name2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1cnc([C@@H]2O[C@H](C(O)C(F)(F)F)[C@@H](O)[C@H]2O)[nH]1
InChIInChI=1S/C10H12F3N3O5/c11-10(12,13)7(19)5-3(17)4(18)6(21-5)9-15-1-2(16-9)8(14)20/h1,3-7,17-19H,(H2,14,20)(H,15,16)/t3-,4+,5-,6+,7?/m0/s1
InChIKeyZSVNDBDYULVDGG-GKYMIPFJSA-N
XLogP-1.41
TPSA141.69 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide (CID 70264293) is 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide is NC(=O)c1cnc([C@@H]2O[C@H](C(O)C(F)(F)F)[C@@H](O)[C@H]2O)[nH]1.
What is the InChIKey of 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
The InChIKey is ZSVNDBDYULVDGG-GKYMIPFJSA-N. The full InChI is InChI=1S/C10H12F3N3O5/c11-10(12,13)7(19)5-3(17)4(18)6(21-5)9-15-1-2(16-9)8(14)20/h1,3-7,17-19H,(H2,14,20)(H,15,16)/t3-,4+,5-,6+,7?/m0/s1.
What are the key properties of 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide has a molecular weight of 311.22 g/mol, XLogP of -1.41, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(2,2,2-trifluoro-1-hydroxyethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 70264293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).