2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone

C25H33N3O2 — CID 159976909

IUPAC2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2ccc(C3(C)OCCN3C)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C25H33N3O2/c1-17-16-26-23(27-17)22(29)14-19-6-7-20(25(4)28(5)12-13-30-25)15-21(19)18-8-10-24(2,3)11-9-18/h6-8,15-16H,9-14H2,1-5H3,(H,26,27)
InChIKeyYVMIJJZIPDBTGK-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.87
Rot. Bonds5

About 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone

2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone (PubChem CID 159976909) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone
PubChem CID159976909
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2ccc(C3(C)OCCN3C)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C25H33N3O2/c1-17-16-26-23(27-17)22(29)14-19-6-7-20(25(4)28(5)12-13-30-25)15-21(19)18-8-10-24(2,3)11-9-18/h6-8,15-16H,9-14H2,1-5H3,(H,26,27)
InChIKeyYVMIJJZIPDBTGK-UHFFFAOYSA-N
XLogP4.87
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone?
The IUPAC name of 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone (CID 159976909) is 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone?
The canonical SMILES for 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone is Cc1cnc(C(=O)Cc2ccc(C3(C)OCCN3C)cc2C2=CCC(C)(C)CC2)[nH]1.
What is the InChIKey of 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone?
The InChIKey is YVMIJJZIPDBTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-17-16-26-23(27-17)22(29)14-19-6-7-20(25(4)28(5)12-13-30-25)15-21(19)18-8-10-24(2,3)11-9-18/h6-8,15-16H,9-14H2,1-5H3,(H,26,27).
What are the key properties of 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone?
2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone has a molecular weight of 407.56 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,3-dimethyl-1,3-oxazolidin-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 159976909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).