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

C19H21N5O2S — CID 110135382

IUPAC[2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1noc(C)c1-c1cnc(CCC2CCCN2C(=O)c2cscn2)cn1
InChIInChI=1S/C19H21N5O2S/c1-12-18(13(2)26-23-12)16-9-20-14(8-21-16)5-6-15-4-3-7-24(15)19(25)17-10-27-11-22-17/h8-11,15H,3-7H2,1-2H3
InChIKeyUGNLXKJQPQHIJH-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.44
Rot. Bonds5

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

[2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 110135382) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is [2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID110135382
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name[2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1noc(C)c1-c1cnc(CCC2CCCN2C(=O)c2cscn2)cn1
InChIInChI=1S/C19H21N5O2S/c1-12-18(13(2)26-23-12)16-9-20-14(8-21-16)5-6-15-4-3-7-24(15)19(25)17-10-27-11-22-17/h8-11,15H,3-7H2,1-2H3
InChIKeyUGNLXKJQPQHIJH-UHFFFAOYSA-N
XLogP3.44
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110135413
[(2R)-2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 124953348
1-[(2R)-2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 125010120
1-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541640
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63024249
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119649080
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95350732
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 141115735
1-[1-(1,3-thiazole-4-carbonyl)piperidin-2-yl]propan-2-one
CID 79549025
1-[2-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 110135504
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 55142862
[(3R)-3-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 125014804

Frequently Asked Questions

What is the IUPAC name of [2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 110135382) is [2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1noc(C)c1-c1cnc(CCC2CCCN2C(=O)c2cscn2)cn1.
What is the InChIKey of [2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is UGNLXKJQPQHIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-18(13(2)26-23-12)16-9-20-14(8-21-16)5-6-15-4-3-7-24(15)19(25)17-10-27-11-22-17/h8-11,15H,3-7H2,1-2H3.
What are the key properties of [2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 383.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110135382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).