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

C13H15F2N5O3 — CID 110203104

IUPAC[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCOCCc1noc([C@@H]2CC(F)(F)CN2C(=O)c2ccn[nH]2)n1
InChIInChI=1S/C13H15F2N5O3/c1-22-5-3-10-17-11(23-19-10)9-6-13(14,15)7-20(9)12(21)8-2-4-16-18-8/h2,4,9H,3,5-7H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeyXMQNOSNEJPOURB-VIFPVBQESA-N
MW327.29 g/mol
LogP1.20
Rot. Bonds5

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

[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 110203104) has the molecular formula C13H15F2N5O3 and a molecular weight of 327.29 g/mol. Its IUPAC name is [(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID110203104
Molecular FormulaC13H15F2N5O3
Molecular Weight327.29 g/mol
Exact Mass327.11
IUPAC Name[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCOCCc1noc([C@@H]2CC(F)(F)CN2C(=O)c2ccn[nH]2)n1
InChIInChI=1S/C13H15F2N5O3/c1-22-5-3-10-17-11(23-19-10)9-6-13(14,15)7-20(9)12(21)8-2-4-16-18-8/h2,4,9H,3,5-7H2,1H3,(H,16,18)/t9-/m0/s1
InChIKeyXMQNOSNEJPOURB-VIFPVBQESA-N
XLogP1.20
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 110203104) is [(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is COCCc1noc([C@@H]2CC(F)(F)CN2C(=O)c2ccn[nH]2)n1.
What is the InChIKey of [(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is XMQNOSNEJPOURB-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15F2N5O3/c1-22-5-3-10-17-11(23-19-10)9-6-13(14,15)7-20(9)12(21)8-2-4-16-18-8/h2,4,9H,3,5-7H2,1H3,(H,16,18)/t9-/m0/s1.
What are the key properties of [(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 327.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 110203104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).