[3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone

C19H22N6O2S — CID 110159054

IUPAC[3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCC(Cc2nccnc2-c2c(C)noc2C)C1
InChIInChI=1S/C19H22N6O2S/c1-4-14-18(28-24-22-14)19(26)25-8-5-13(10-25)9-15-17(21-7-6-20-15)16-11(2)23-27-12(16)3/h6-7,13H,4-5,8-10H2,1-3H3
InChIKeyWGCWYDUBLNHDGE-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.87
Rot. Bonds5

About [3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone

[3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 110159054) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is [3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
PubChem CID110159054
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name[3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCC(Cc2nccnc2-c2c(C)noc2C)C1
InChIInChI=1S/C19H22N6O2S/c1-4-14-18(28-24-22-14)19(26)25-8-5-13(10-25)9-15-17(21-7-6-20-15)16-11(2)23-27-12(16)3/h6-7,13H,4-5,8-10H2,1-3H3
InChIKeyWGCWYDUBLNHDGE-UHFFFAOYSA-N
XLogP2.87
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone with MolForge

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Related Compounds

[(3R)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridazin-3-ylmethanone
CID 124990893
[(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 125023073
[(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 124981653
[3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110159036
(E)-1-[(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 124975509
1-[3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110158999
1-[(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 124952346
[4-(bromomethyl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80678099
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62347907
(4-ethylthiadiazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543322
1-[3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110102218
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of [3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone (CID 110159054) is [3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone is CCc1nnsc1C(=O)N1CCC(Cc2nccnc2-c2c(C)noc2C)C1.
What is the InChIKey of [3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is WGCWYDUBLNHDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-4-14-18(28-24-22-14)19(26)25-8-5-13(10-25)9-15-17(21-7-6-20-15)16-11(2)23-27-12(16)3/h6-7,13H,4-5,8-10H2,1-3H3.
What are the key properties of [3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
[3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 398.49 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 110159054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).