(2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone

C20H18F2N4O2 — CID 124969371

IUPAC(2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C20H18F2N4O2/c1-11-18(12(2)28-25-11)16-10-23-9-15(24-16)17-7-4-8-26(17)20(27)19-13(21)5-3-6-14(19)22/h3,5-6,9-10,17H,4,7-8H2,1-2H3/t17-/m0/s1
InChIKeyJINPGABMMGWBDS-KRWDZBQOSA-N
MW384.39 g/mol
LogP4.00
Rot. Bonds3

About (2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone

(2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 124969371) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID124969371
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name(2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C20H18F2N4O2/c1-11-18(12(2)28-25-11)16-10-23-9-15(24-16)17-7-4-8-26(17)20(27)19-13(21)5-3-6-14(19)22/h3,5-6,9-10,17H,4,7-8H2,1-2H3/t17-/m0/s1
InChIKeyJINPGABMMGWBDS-KRWDZBQOSA-N
XLogP4.00
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 110129583
[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
CID 124969712
2-amino-1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110129418
[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 125002559
1-[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124943238
1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124996891
1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124977166
(2-chloro-6-fluorophenyl)-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 46366289
1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 110129510
N-[[6-[(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125027050
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 53009589
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 124994489

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone (CID 124969371) is (2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone is Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)c2c(F)cccc2F)n1.
What is the InChIKey of (2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is JINPGABMMGWBDS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-11-18(12(2)28-25-11)16-10-23-9-15(24-16)17-7-4-8-26(17)20(27)19-13(21)5-3-6-14(19)22/h3,5-6,9-10,17H,4,7-8H2,1-2H3/t17-/m0/s1.
What are the key properties of (2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
(2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 384.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124969371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).