[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone

C14H17F2N5O2 — CID 110203222

IUPAC[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCc1noc([C@@H]2CC(F)(F)CN2C(=O)c2ccn(CC)n2)n1
InChIInChI=1S/C14H17F2N5O2/c1-3-11-17-12(23-19-11)10-7-14(15,16)8-21(10)13(22)9-5-6-20(4-2)18-9/h5-6,10H,3-4,7-8H2,1-2H3/t10-/m0/s1
InChIKeyLNWRHNGAUGOYSQ-JTQLQIEISA-N
MW325.32 g/mol
LogP2.07
Rot. Bonds4

About [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone

[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone (PubChem CID 110203222) has the molecular formula C14H17F2N5O2 and a molecular weight of 325.32 g/mol. Its IUPAC name is [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
PubChem CID110203222
Molecular FormulaC14H17F2N5O2
Molecular Weight325.32 g/mol
Exact Mass325.14
IUPAC Name[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCc1noc([C@@H]2CC(F)(F)CN2C(=O)c2ccn(CC)n2)n1
InChIInChI=1S/C14H17F2N5O2/c1-3-11-17-12(23-19-11)10-7-14(15,16)8-21(10)13(22)9-5-6-20(4-2)18-9/h5-6,10H,3-4,7-8H2,1-2H3/t10-/m0/s1
InChIKeyLNWRHNGAUGOYSQ-JTQLQIEISA-N
XLogP2.07
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The IUPAC name of [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone (CID 110203222) is [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone is CCc1noc([C@@H]2CC(F)(F)CN2C(=O)c2ccn(CC)n2)n1.
What is the InChIKey of [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The InChIKey is LNWRHNGAUGOYSQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17F2N5O2/c1-3-11-17-12(23-19-11)10-7-14(15,16)8-21(10)13(22)9-5-6-20(4-2)18-9/h5-6,10H,3-4,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone has a molecular weight of 325.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 110203222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).