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

C20H24N6O3 — CID 125010120

IUPAC1-[(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
SMILESCc1nonc1CC(=O)N1CCC[C@@H]1CCc1cnc(-c2c(C)noc2C)cn1
InChIInChI=1S/C20H24N6O3/c1-12-17(25-29-24-12)9-19(27)26-8-4-5-16(26)7-6-15-10-22-18(11-21-15)20-13(2)23-28-14(20)3/h10-11,16H,4-9H2,1-3H3/t16-/m1/s1
InChIKeyVHCYUTSKSBDFEU-MRXNPFEDSA-N
MW396.45 g/mol
LogP2.61
Rot. Bonds6

About 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

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 (PubChem CID 125010120) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID125010120
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name1-[(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
SMILESCc1nonc1CC(=O)N1CCC[C@@H]1CCc1cnc(-c2c(C)noc2C)cn1
InChIInChI=1S/C20H24N6O3/c1-12-17(25-29-24-12)9-19(27)26-8-4-5-16(26)7-6-15-10-22-18(11-21-15)20-13(2)23-28-14(20)3/h10-11,16H,4-9H2,1-3H3/t16-/m1/s1
InChIKeyVHCYUTSKSBDFEU-MRXNPFEDSA-N
XLogP2.61
TPSA111.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(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
[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
[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
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
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
1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124996936
1-[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124968773
1-[2-[2-(5-bromopyrazin-2-yl)ethyl]piperidin-1-yl]ethanone
CID 66509821
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95341364
1-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 95111667
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 166240610
[(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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nonc1CC(=O)N1CCC[C@@H]1CCc1cnc(-c2c(C)noc2C)cn1.
What is the InChIKey of 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?
The InChIKey is VHCYUTSKSBDFEU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-12-17(25-29-24-12)9-19(27)26-8-4-5-16(26)7-6-15-10-22-18(11-21-15)20-13(2)23-28-14(20)3/h10-11,16H,4-9H2,1-3H3/t16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 396.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 125010120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).