(3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one

C19H21F3N4O3 — CID 25488769

IUPAC(3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C19H21F3N4O3/c1-2-14-18(28)23-8-9-26(14)17(27)7-6-15-24-25-16(29-15)11-12-4-3-5-13(10-12)19(20,21)22/h3-5,10,14H,2,6-9,11H2,1H3,(H,23,28)/t14-/m1/s1
InChIKeyXBBVEDLQZNELFD-CQSZACIVSA-N
MW410.40 g/mol
LogP2.35
Rot. Bonds6

About (3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one

(3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one (PubChem CID 25488769) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is (3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one
PubChem CID25488769
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name(3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C19H21F3N4O3/c1-2-14-18(28)23-8-9-26(14)17(27)7-6-15-24-25-16(29-15)11-12-4-3-5-13(10-12)19(20,21)22/h3-5,10,14H,2,6-9,11H2,1H3,(H,23,28)/t14-/m1/s1
InChIKeyXBBVEDLQZNELFD-CQSZACIVSA-N
XLogP2.35
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-thiomorpholin-4-yl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 25372606
4-[3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
CID 119184179
N-(oxan-4-ylmethyl)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42360109
2-[2-(methylamino)-2-oxoethyl]-3-oxo-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 119070408
(3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one
CID 92613300
N-cycloheptyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42395092
N-[(2S)-1-methoxybutan-2-yl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42384402
N-benzyl-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 25293057
4-[3-(3-chloro-4-methylphenyl)propanoyl]-3-ethylpiperazin-2-one
CID 63601524
3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one
CID 110025296
(3S)-4-[3-(3-ethoxyphenyl)propanoyl]-3-ethyl-1,4-diazepan-2-one
CID 136587028
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one
CID 166249901

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one?
The IUPAC name of (3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one (CID 25488769) is (3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one?
The canonical SMILES for (3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one is CC[C@@H]1C(=O)NCCN1C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of (3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one?
The InChIKey is XBBVEDLQZNELFD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-2-14-18(28)23-8-9-26(14)17(27)7-6-15-24-25-16(29-15)11-12-4-3-5-13(10-12)19(20,21)22/h3-5,10,14H,2,6-9,11H2,1H3,(H,23,28)/t14-/m1/s1.
What are the key properties of (3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one?
(3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one has a molecular weight of 410.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-4-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperazin-2-one is sourced from PubChem (CID 25488769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).