1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone

C15H17F2N5O2 — CID 110203137

IUPAC1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
SMILESCc1ccn(CC(=O)N2CC(F)(F)C[C@H]2c2nc(C3CC3)no2)n1
InChIInChI=1S/C15H17F2N5O2/c1-9-4-5-21(19-9)7-12(23)22-8-15(16,17)6-11(22)14-18-13(20-24-14)10-2-3-10/h4-5,10-11H,2-3,6-8H2,1H3/t11-/m0/s1
InChIKeyRKCQOXCTXHRNFK-NSHDSACASA-N
MW337.33 g/mol
LogP2.06
Rot. Bonds4

About 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone

1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone (PubChem CID 110203137) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
PubChem CID110203137
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC Name1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
SMILESCc1ccn(CC(=O)N2CC(F)(F)C[C@H]2c2nc(C3CC3)no2)n1
InChIInChI=1S/C15H17F2N5O2/c1-9-4-5-21(19-9)7-12(23)22-8-15(16,17)6-11(22)14-18-13(20-24-14)10-2-3-10/h4-5,10-11H,2-3,6-8H2,1H3/t11-/m0/s1
InChIKeyRKCQOXCTXHRNFK-NSHDSACASA-N
XLogP2.06
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone (CID 110203137) is 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone is Cc1ccn(CC(=O)N2CC(F)(F)C[C@H]2c2nc(C3CC3)no2)n1.
What is the InChIKey of 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone?
The InChIKey is RKCQOXCTXHRNFK-NSHDSACASA-N. The full InChI is InChI=1S/C15H17F2N5O2/c1-9-4-5-21(19-9)7-12(23)22-8-15(16,17)6-11(22)14-18-13(20-24-14)10-2-3-10/h4-5,10-11H,2-3,6-8H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone?
1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone has a molecular weight of 337.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 110203137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).