3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole

C20H23N5O — CID 124960755

IUPAC3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc([C@H]2CCCN(Cc3cnccn3)C2)nc1
InChIInChI=1S/C20H23N5O/c1-14-20(15(2)26-24-14)16-5-6-19(23-10-16)17-4-3-9-25(12-17)13-18-11-21-7-8-22-18/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3/t17-/m0/s1
InChIKeyGWVDVLXMFOGABK-KRWDZBQOSA-N
MW349.44 g/mol
LogP3.52
Rot. Bonds4

About 3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole

3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole (PubChem CID 124960755) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole
PubChem CID124960755
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc([C@H]2CCCN(Cc3cnccn3)C2)nc1
InChIInChI=1S/C20H23N5O/c1-14-20(15(2)26-24-14)16-5-6-19(23-10-16)17-4-3-9-25(12-17)13-18-11-21-7-8-22-18/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3/t17-/m0/s1
InChIKeyGWVDVLXMFOGABK-KRWDZBQOSA-N
XLogP3.52
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole with MolForge

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Related Compounds

4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 125024963
[(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 125020232
3,5-dimethyl-4-[5-[[(3R)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]-1,2-oxazole
CID 124990434
1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 124964238
[3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110159035
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 110129574
2-[(3S)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]pyrazine
CID 124965345
3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole
CID 125020312
N-methyl-3-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 110100236
2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrazine
CID 110256923
1-[(3R)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 92615994
1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 92615995

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole (CID 124960755) is 3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole is Cc1noc(C)c1-c1ccc([C@H]2CCCN(Cc3cnccn3)C2)nc1.
What is the InChIKey of 3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole?
The InChIKey is GWVDVLXMFOGABK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-20(15(2)26-24-14)16-5-6-19(23-10-16)17-4-3-9-25(12-17)13-18-11-21-7-8-22-18/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole?
3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole has a molecular weight of 349.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole is sourced from PubChem (CID 124960755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).