(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide

C13H15F3N6O2 — CID 128977935

IUPAC(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C13H15F3N6O2/c1-2-22-5-4-17-9(22)8-7(3-6-24-8)10(23)18-12-19-11(20-21-12)13(14,15)16/h4-5,7-8H,2-3,6H2,1H3,(H2,18,19,20,21,23)/t7-,8-/m1/s1
InChIKeyHFHKMEBODROXOM-HTQZYQBOSA-N
MW344.30 g/mol
LogP1.76
Rot. Bonds4

About (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide

(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide (PubChem CID 128977935) has the molecular formula C13H15F3N6O2 and a molecular weight of 344.30 g/mol. Its IUPAC name is (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide
PubChem CID128977935
Molecular FormulaC13H15F3N6O2
Molecular Weight344.30 g/mol
Exact Mass344.12
IUPAC Name(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C13H15F3N6O2/c1-2-22-5-4-17-9(22)8-7(3-6-24-8)10(23)18-12-19-11(20-21-12)13(14,15)16/h4-5,7-8H,2-3,6H2,1H3,(H2,18,19,20,21,23)/t7-,8-/m1/s1
InChIKeyHFHKMEBODROXOM-HTQZYQBOSA-N
XLogP1.76
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 110000277
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)butanamide
CID 110911027
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 110932856
5-[(2R,3R)-3-(imidazol-1-ylmethyl)oxolan-2-yl]-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
CID 167847471
[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 128341018
(2R,3R)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128969887
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(4-ethyl-1,2,4-triazol-3-yl)oxolane-3-carboxamide
CID 128987502
(2R,3R)-N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide
CID 128987509
(2R,3R)-N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-(1-ethylimidazol-2-yl)oxolane-3-carboxamide
CID 128987520
N-methyl-2-(2-methylimidazol-1-yl)-N-[[(2S,3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-2-yl]methyl]acetamide
CID 132401248
N-methyl-2-(2-methylimidazol-1-yl)-N-[[(2S,3S)-3-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methyl]acetamide
CID 132401403
N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 137870139

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide (CID 128977935) is (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide is CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
The InChIKey is HFHKMEBODROXOM-HTQZYQBOSA-N. The full InChI is InChI=1S/C13H15F3N6O2/c1-2-22-5-4-17-9(22)8-7(3-6-24-8)10(23)18-12-19-11(20-21-12)13(14,15)16/h4-5,7-8H,2-3,6H2,1H3,(H2,18,19,20,21,23)/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide has a molecular weight of 344.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(1-ethylimidazol-2-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 128977935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).