5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole

C15H20N4O — CID 125012518

IUPAC5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cncc([C@@H]2CCCN(Cc3cc(C)on3)C2)n1
InChIInChI=1S/C15H20N4O/c1-11-7-16-8-15(17-11)13-4-3-5-19(9-13)10-14-6-12(2)20-18-14/h6-8,13H,3-5,9-10H2,1-2H3/t13-/m1/s1
InChIKeyVYHBKRCVGZOTQK-CYBMUJFWSA-N
MW272.35 g/mol
LogP2.46
Rot. Bonds3

About 5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole

5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 125012518) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID125012518
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cncc([C@@H]2CCCN(Cc3cc(C)on3)C2)n1
InChIInChI=1S/C15H20N4O/c1-11-7-16-8-15(17-11)13-4-3-5-19(9-13)10-14-6-12(2)20-18-14/h6-8,13H,3-5,9-10H2,1-2H3/t13-/m1/s1
InChIKeyVYHBKRCVGZOTQK-CYBMUJFWSA-N
XLogP2.46
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 110096341
2-methyl-6-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrazine
CID 110259175
2-methyl-6-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 127246127
4,6-dimethyl-2-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]pyrimidine
CID 124959792
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole
CID 124941136
3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95275327
3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 58235129
2-methyl-6-[(3S)-1-phenylpiperidin-3-yl]pyrazine
CID 125020783
3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 172891629
5-methyl-3-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]-1,2-oxazole
CID 124975748
[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 125025117

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole (CID 125012518) is 5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole is Cc1cncc([C@@H]2CCCN(Cc3cc(C)on3)C2)n1.
What is the InChIKey of 5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is VYHBKRCVGZOTQK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-7-16-8-15(17-11)13-4-3-5-19(9-13)10-14-6-12(2)20-18-14/h6-8,13H,3-5,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 272.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 125012518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).