2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone

C13H20N2O2 — CID 110680009

IUPAC2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nc(C)c(CC(=O)N2CCC(C)CC2)o1
InChIInChI=1S/C13H20N2O2/c1-9-4-6-15(7-5-9)13(16)8-12-10(2)14-11(3)17-12/h9H,4-8H2,1-3H3
InChIKeyZITLUZLKAAYUFY-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.09
Rot. Bonds2

About 2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone

2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 110680009) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID110680009
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nc(C)c(CC(=O)N2CCC(C)CC2)o1
InChIInChI=1S/C13H20N2O2/c1-9-4-6-15(7-5-9)13(16)8-12-10(2)14-11(3)17-12/h9H,4-8H2,1-3H3
InChIKeyZITLUZLKAAYUFY-UHFFFAOYSA-N
XLogP2.09
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
CID 110680052
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
CID 110680042
2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110680076
2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110849075
3-(2-methyl-1,3-benzoxazol-5-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 110390559
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone
CID 110487580

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone (CID 110680009) is 2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone is Cc1nc(C)c(CC(=O)N2CCC(C)CC2)o1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is ZITLUZLKAAYUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-4-6-15(7-5-9)13(16)8-12-10(2)14-11(3)17-12/h9H,4-8H2,1-3H3.
What are the key properties of 2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110680009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).