1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

C15H19F2N5O3 — CID 110203111

IUPAC1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCOCCc1noc([C@@H]2CC(F)(F)CN2C(=O)Cn2cc(C)cn2)n1
InChIInChI=1S/C15H19F2N5O3/c1-10-6-18-21(7-10)8-13(23)22-9-15(16,17)5-11(22)14-19-12(20-25-14)3-4-24-2/h6-7,11H,3-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyJFJSVZXVFYPBMK-NSHDSACASA-N
MW355.35 g/mol
LogP1.37
Rot. Bonds6

About 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 110203111) has the molecular formula C15H19F2N5O3 and a molecular weight of 355.35 g/mol. Its IUPAC name is 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID110203111
Molecular FormulaC15H19F2N5O3
Molecular Weight355.35 g/mol
Exact Mass355.15
IUPAC Name1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCOCCc1noc([C@@H]2CC(F)(F)CN2C(=O)Cn2cc(C)cn2)n1
InChIInChI=1S/C15H19F2N5O3/c1-10-6-18-21(7-10)8-13(23)22-9-15(16,17)5-11(22)14-19-12(20-25-14)3-4-24-2/h6-7,11H,3-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyJFJSVZXVFYPBMK-NSHDSACASA-N
XLogP1.37
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (CID 110203111) is 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is COCCc1noc([C@@H]2CC(F)(F)CN2C(=O)Cn2cc(C)cn2)n1.
What is the InChIKey of 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is JFJSVZXVFYPBMK-NSHDSACASA-N. The full InChI is InChI=1S/C15H19F2N5O3/c1-10-6-18-21(7-10)8-13(23)22-9-15(16,17)5-11(22)14-19-12(20-25-14)3-4-24-2/h6-7,11H,3-5,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 355.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 110203111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).