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

C19H22N6O2 — CID 125023073

IUPAC[(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)c2nccn2C)C1
InChIInChI=1S/C19H22N6O2/c1-12-16(13(2)27-23-12)17-15(20-5-6-21-17)10-14-4-8-25(11-14)19(26)18-22-7-9-24(18)3/h5-7,9,14H,4,8,10-11H2,1-3H3/t14-/m0/s1
InChIKeyYVGMTEKUCVQRRK-AWEZNQCLSA-N
MW366.43 g/mol
LogP2.19
Rot. Bonds4

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

[(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 125023073) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is [(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID125023073
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name[(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)c2nccn2C)C1
InChIInChI=1S/C19H22N6O2/c1-12-16(13(2)27-23-12)17-15(20-5-6-21-17)10-14-4-8-25(11-14)19(26)18-22-7-9-24(18)3/h5-7,9,14H,4,8,10-11H2,1-3H3/t14-/m0/s1
InChIKeyYVGMTEKUCVQRRK-AWEZNQCLSA-N
XLogP2.19
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

[(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
[(3R)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyridazin-3-ylmethanone
CID 124990893
[3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 110159054
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
(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
[(3S)-3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 124976884
1-[3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110102218
cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124987285
[(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
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 114960513

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [(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) is [(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone is Cc1noc(C)c1-c1nccnc1C[C@@H]1CCN(C(=O)c2nccn2C)C1.
What is the InChIKey of [(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is YVGMTEKUCVQRRK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12-16(13(2)27-23-12)17-15(20-5-6-21-17)10-14-4-8-25(11-14)19(26)18-22-7-9-24(18)3/h5-7,9,14H,4,8,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of [(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone?
[(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 366.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 125023073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).