2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide

C13H19F3N4O3 — CID 72866461

IUPAC2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(Cc2nc(C(F)(F)F)no2)C[C@@H]1NC(=O)CO
InChIInChI=1S/C13H19F3N4O3/c1-2-3-8-4-20(5-9(8)17-10(22)7-21)6-11-18-12(19-23-11)13(14,15)16/h8-9,21H,2-7H2,1H3,(H,17,22)/t8-,9-/m0/s1
InChIKeyICRCWDBICUMHOR-IUCAKERBSA-N
MW336.31 g/mol
LogP0.80
Rot. Bonds6

About 2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide

2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide (PubChem CID 72866461) has the molecular formula C13H19F3N4O3 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide
PubChem CID72866461
Molecular FormulaC13H19F3N4O3
Molecular Weight336.31 g/mol
Exact Mass336.14
IUPAC Name2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(Cc2nc(C(F)(F)F)no2)C[C@@H]1NC(=O)CO
InChIInChI=1S/C13H19F3N4O3/c1-2-3-8-4-20(5-9(8)17-10(22)7-21)6-11-18-12(19-23-11)13(14,15)16/h8-9,21H,2-7H2,1H3,(H,17,22)/t8-,9-/m0/s1
InChIKeyICRCWDBICUMHOR-IUCAKERBSA-N
XLogP0.80
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide (CID 72866461) is 2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide is CCC[C@H]1CN(Cc2nc(C(F)(F)F)no2)C[C@@H]1NC(=O)CO.
What is the InChIKey of 2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is ICRCWDBICUMHOR-IUCAKERBSA-N. The full InChI is InChI=1S/C13H19F3N4O3/c1-2-3-8-4-20(5-9(8)17-10(22)7-21)6-11-18-12(19-23-11)13(14,15)16/h8-9,21H,2-7H2,1H3,(H,17,22)/t8-,9-/m0/s1.
What are the key properties of 2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide?
2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 336.31 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72866461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).