1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one

C15H19F2N5O3 — CID 110203110

IUPAC1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESCOCCc1noc([C@@H]2CC(F)(F)CN2C(=O)CCn2cccn2)n1
InChIInChI=1S/C15H19F2N5O3/c1-24-8-4-12-19-14(25-20-12)11-9-15(16,17)10-22(11)13(23)3-7-21-6-2-5-18-21/h2,5-6,11H,3-4,7-10H2,1H3/t11-/m0/s1
InChIKeyBJVKHRIYWXWIND-NSHDSACASA-N
MW355.35 g/mol
LogP1.45
Rot. Bonds7

About 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one

1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one (PubChem CID 110203110) 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]-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
PubChem CID110203110
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]-3-pyrazol-1-ylpropan-1-one
SMILESCOCCc1noc([C@@H]2CC(F)(F)CN2C(=O)CCn2cccn2)n1
InChIInChI=1S/C15H19F2N5O3/c1-24-8-4-12-19-14(25-20-12)11-9-15(16,17)10-22(11)13(23)3-7-21-6-2-5-18-21/h2,5-6,11H,3-4,7-10H2,1H3/t11-/m0/s1
InChIKeyBJVKHRIYWXWIND-NSHDSACASA-N
XLogP1.45
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.45
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]-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one (CID 110203110) is 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one is COCCc1noc([C@@H]2CC(F)(F)CN2C(=O)CCn2cccn2)n1.
What is the InChIKey of 1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The InChIKey is BJVKHRIYWXWIND-NSHDSACASA-N. The full InChI is InChI=1S/C15H19F2N5O3/c1-24-8-4-12-19-14(25-20-12)11-9-15(16,17)10-22(11)13(23)3-7-21-6-2-5-18-21/h2,5-6,11H,3-4,7-10H2,1H3/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]-3-pyrazol-1-ylpropan-1-one?
1-[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one has a molecular weight of 355.35 g/mol, XLogP of 1.45, 7 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]-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 110203110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).