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

C21H24N6O2 — CID 124953348

IUPAC[(2R)-2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCC[C@@H]2CCc2cnc(-c3c(C)noc3C)cn2)cn1
InChIInChI=1S/C21H24N6O2/c1-13-20(14(2)29-26-13)19-12-24-17(11-25-19)6-7-18-5-4-8-27(18)21(28)16-9-22-15(3)23-10-16/h9-12,18H,4-8H2,1-3H3/t18-/m1/s1
InChIKeyDUSUDWYXABIQQZ-GOSISDBHSA-N
MW392.46 g/mol
LogP3.08
Rot. Bonds5

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

[(2R)-2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone (PubChem CID 124953348) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is [(2R)-2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
PubChem CID124953348
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name[(2R)-2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCC[C@@H]2CCc2cnc(-c3c(C)noc3C)cn2)cn1
InChIInChI=1S/C21H24N6O2/c1-13-20(14(2)29-26-13)19-12-24-17(11-25-19)6-7-18-5-4-8-27(18)21(28)16-9-22-15(3)23-10-16/h9-12,18H,4-8H2,1-3H3/t18-/m1/s1
InChIKeyDUSUDWYXABIQQZ-GOSISDBHSA-N
XLogP3.08
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.08
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
[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-[(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
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 124988744
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
[3-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110159037
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 110129515
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119631996
[2-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 155882087
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 110129583
[(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
1-[2-[2-(5-bromopyrazin-2-yl)ethyl]piperidin-1-yl]ethanone
CID 66509821

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
The IUPAC name of [(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) is [(2R)-2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2R)-2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2R)-2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone is Cc1ncc(C(=O)N2CCC[C@@H]2CCc2cnc(-c3c(C)noc3C)cn2)cn1.
What is the InChIKey of [(2R)-2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
The InChIKey is DUSUDWYXABIQQZ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13-20(14(2)29-26-13)19-12-24-17(11-25-19)6-7-18-5-4-8-27(18)21(28)16-9-22-15(3)23-10-16/h9-12,18H,4-8H2,1-3H3/t18-/m1/s1.
What are the key properties of [(2R)-2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone?
[(2R)-2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone has a molecular weight of 392.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]ethyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 124953348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).