6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide

C26H33N5O6S — CID 91411713

IUPAC6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESCC1=NC2OC=CN2C1C(=O)NC1(C(=O)NC2CCN(c3ccccc3S(C)(=O)=O)CC2=O)CCCCC1
InChIInChI=1S/C26H33N5O6S/c1-17-22(31-14-15-37-25(31)27-17)23(33)29-26(11-6-3-7-12-26)24(34)28-18-10-13-30(16-20(18)32)19-8-4-5-9-21(19)38(2,35)36/h4-5,8-9,14-15,18,22,25H,3,6-7,10-13,16H2,1-2H3,(H,28,34)(H,29,33)
InChIKeyZDKZBOYKTVUZML-UHFFFAOYSA-N
MW543.65 g/mol
LogP1.10
Rot. Bonds6

About 6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide

6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide (PubChem CID 91411713) has the molecular formula C26H33N5O6S and a molecular weight of 543.65 g/mol. Its IUPAC name is 6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide
PubChem CID91411713
Molecular FormulaC26H33N5O6S
Molecular Weight543.65 g/mol
Exact Mass543.22
IUPAC Name6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide
SMILESCC1=NC2OC=CN2C1C(=O)NC1(C(=O)NC2CCN(c3ccccc3S(C)(=O)=O)CC2=O)CCCCC1
InChIInChI=1S/C26H33N5O6S/c1-17-22(31-14-15-37-25(31)27-17)23(33)29-26(11-6-3-7-12-26)24(34)28-18-10-13-30(16-20(18)32)19-8-4-5-9-21(19)38(2,35)36/h4-5,8-9,14-15,18,22,25H,3,6-7,10-13,16H2,1-2H3,(H,28,34)(H,29,33)
InChIKeyZDKZBOYKTVUZML-UHFFFAOYSA-N
XLogP1.10
TPSA137.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.65
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide (CID 91411713) is 6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide is CC1=NC2OC=CN2C1C(=O)NC1(C(=O)NC2CCN(c3ccccc3S(C)(=O)=O)CC2=O)CCCCC1.
What is the InChIKey of 6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide?
The InChIKey is ZDKZBOYKTVUZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O6S/c1-17-22(31-14-15-37-25(31)27-17)23(33)29-26(11-6-3-7-12-26)24(34)28-18-10-13-30(16-20(18)32)19-8-4-5-9-21(19)38(2,35)36/h4-5,8-9,14-15,18,22,25H,3,6-7,10-13,16H2,1-2H3,(H,28,34)(H,29,33).
What are the key properties of 6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide?
6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide has a molecular weight of 543.65 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[[1-(2-methylsulfonylphenyl)-3-oxopiperidin-4-yl]carbamoyl]cyclohexyl]-5,7a-dihydroimidazo[2,1-b][1,3]oxazole-5-carboxamide is sourced from PubChem (CID 91411713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).