[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

C16H17F2N5O2 — CID 110203127

IUPAC[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C16H17F2N5O2/c17-16(18)6-12(14-19-13(22-25-14)9-3-4-9)23(7-16)15(24)11-5-10(20-21-11)8-1-2-8/h5,8-9,12H,1-4,6-7H2,(H,20,21)/t12-/m0/s1
InChIKeyAOWFINXULIZBQM-LBPRGKRZSA-N
MW349.34 g/mol
LogP2.77
Rot. Bonds4

About [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone (PubChem CID 110203127) has the molecular formula C16H17F2N5O2 and a molecular weight of 349.34 g/mol. Its IUPAC name is [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
PubChem CID110203127
Molecular FormulaC16H17F2N5O2
Molecular Weight349.34 g/mol
Exact Mass349.14
IUPAC Name[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1
InChIInChI=1S/C16H17F2N5O2/c17-16(18)6-12(14-19-13(22-25-14)9-3-4-9)23(7-16)15(24)11-5-10(20-21-11)8-1-2-8/h5,8-9,12H,1-4,6-7H2,(H,20,21)/t12-/m0/s1
InChIKeyAOWFINXULIZBQM-LBPRGKRZSA-N
XLogP2.77
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone (CID 110203127) is [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone is O=C(c1cc(C2CC2)[nH]n1)N1CC(F)(F)C[C@H]1c1nc(C2CC2)no1.
What is the InChIKey of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
The InChIKey is AOWFINXULIZBQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17F2N5O2/c17-16(18)6-12(14-19-13(22-25-14)9-3-4-9)23(7-16)15(24)11-5-10(20-21-11)8-1-2-8/h5,8-9,12H,1-4,6-7H2,(H,20,21)/t12-/m0/s1.
What are the key properties of [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone?
[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone has a molecular weight of 349.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 110203127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).