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

C20H24N6O2 — CID 110135413

IUPAC[2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1noc(C)c1-c1cnc(CCC2CCCN2C(=O)c2ccn(C)n2)cn1
InChIInChI=1S/C20H24N6O2/c1-13-19(14(2)28-24-13)18-12-21-15(11-22-18)6-7-16-5-4-9-26(16)20(27)17-8-10-25(3)23-17/h8,10-12,16H,4-7,9H2,1-3H3
InChIKeyLSLBAWKRWRKEHA-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.72
Rot. Bonds5

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

[2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 110135413) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 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-methylpyrazol-3-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-methylpyrazol-3-yl)methanone
PubChem CID110135413
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name[2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1noc(C)c1-c1cnc(CCC2CCCN2C(=O)c2ccn(C)n2)cn1
InChIInChI=1S/C20H24N6O2/c1-13-19(14(2)28-24-13)18-12-21-15(11-22-18)6-7-16-5-4-9-26(16)20(27)17-8-10-25(3)23-17/h8,10-12,16H,4-7,9H2,1-3H3
InChIKeyLSLBAWKRWRKEHA-UHFFFAOYSA-N
XLogP2.72
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.72
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]-(1,3-thiazol-4-yl)methanone
CID 110135382
[(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
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110129280
[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 125018437
[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110145880
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110129286
[2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122367
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
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
[(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-methylpyrazol-3-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-methylpyrazol-3-yl)methanone (CID 110135413) is [2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1-methylpyrazol-3-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-methylpyrazol-3-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-methylpyrazol-3-yl)methanone is Cc1noc(C)c1-c1cnc(CCC2CCCN2C(=O)c2ccn(C)n2)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-methylpyrazol-3-yl)methanone?
The InChIKey is LSLBAWKRWRKEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13-19(14(2)28-24-13)18-12-21-15(11-22-18)6-7-16-5-4-9-26(16)20(27)17-8-10-25(3)23-17/h8,10-12,16H,4-7,9H2,1-3H3.
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-methylpyrazol-3-yl)methanone?
[2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 380.45 g/mol, XLogP of 2.72, 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-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110135413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).