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

C15H15F3N4O2 — CID 154861409

IUPAC(2R,5S)-5-phenyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)n[nH]1)[C@H]1CC[C@@H](c2ccccc2)O1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)14-20-12(21-22-14)8-19-13(23)11-7-6-10(24-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,19,23)(H,20,21,22)/t10-,11+/m0/s1
InChIKeyKIWRTCAGAGOGGW-WDEREUQCSA-N
MW340.31 g/mol
LogP2.36
Rot. Bonds4

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

(2R,5S)-5-phenyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]oxolane-2-carboxamide (PubChem CID 154861409) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is (2R,5S)-5-phenyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-5-phenyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]oxolane-2-carboxamide
PubChem CID154861409
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name(2R,5S)-5-phenyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]oxolane-2-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)n[nH]1)[C@H]1CC[C@@H](c2ccccc2)O1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)14-20-12(21-22-14)8-19-13(23)11-7-6-10(24-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,19,23)(H,20,21,22)/t10-,11+/m0/s1
InChIKeyKIWRTCAGAGOGGW-WDEREUQCSA-N
XLogP2.36
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-phenyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R,5S)-5-phenyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]oxolane-2-carboxamide (CID 154861409) is (2R,5S)-5-phenyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R,5S)-5-phenyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R,5S)-5-phenyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]oxolane-2-carboxamide is O=C(NCc1nc(C(F)(F)F)n[nH]1)[C@H]1CC[C@@H](c2ccccc2)O1.
What is the InChIKey of (2R,5S)-5-phenyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]oxolane-2-carboxamide?
The InChIKey is KIWRTCAGAGOGGW-WDEREUQCSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)14-20-12(21-22-14)8-19-13(23)11-7-6-10(24-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,19,23)(H,20,21,22)/t10-,11+/m0/s1.
What are the key properties of (2R,5S)-5-phenyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]oxolane-2-carboxamide?
(2R,5S)-5-phenyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]oxolane-2-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-phenyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 154861409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).