(2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide

C14H13F3N4O2 — CID 95899827

IUPAC(2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2N1Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)6-11-19-12(23-20-11)7-21-9-4-2-1-3-8(9)5-10(21)13(18)22/h1-4,10H,5-7H2,(H2,18,22)/t10-/m0/s1
InChIKeyKGJJXAKRYZXMJF-JTQLQIEISA-N
MW326.28 g/mol
LogP1.59
Rot. Bonds4

About (2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide

(2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 95899827) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is (2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide
PubChem CID95899827
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name(2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@@H]1Cc2ccccc2N1Cc1nc(CC(F)(F)F)no1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)6-11-19-12(23-20-11)7-21-9-4-2-1-3-8(9)5-10(21)13(18)22/h1-4,10H,5-7H2,(H2,18,22)/t10-/m0/s1
InChIKeyKGJJXAKRYZXMJF-JTQLQIEISA-N
XLogP1.59
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide (CID 95899827) is (2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide is NC(=O)[C@@H]1Cc2ccccc2N1Cc1nc(CC(F)(F)F)no1.
What is the InChIKey of (2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is KGJJXAKRYZXMJF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-14(16,17)6-11-19-12(23-20-11)7-21-9-4-2-1-3-8(9)5-10(21)13(18)22/h1-4,10H,5-7H2,(H2,18,22)/t10-/m0/s1.
What are the key properties of (2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 326.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 95899827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).