5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one

C23H26N4O3 — CID 78148286

IUPAC5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cnccc43)CC2)C1c1ccccc1
InChIInChI=1S/C23H26N4O3/c1-23(2)20(15-6-4-3-5-7-15)27(22(29)30-23)17-10-8-16(9-11-17)26-19-12-13-24-14-18(19)25-21(26)28/h3-7,12-14,16-17,20H,8-11H2,1-2H3,(H,25,28)
InChIKeyVNRKPTDAMCLGEX-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.18
Rot. Bonds3

About 5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one

5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 78148286) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID78148286
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cnccc43)CC2)C1c1ccccc1
InChIInChI=1S/C23H26N4O3/c1-23(2)20(15-6-4-3-5-7-15)27(22(29)30-23)17-10-8-16(9-11-17)26-19-12-13-24-14-18(19)25-21(26)28/h3-7,12-14,16-17,20H,8-11H2,1-2H3,(H,25,28)
InChIKeyVNRKPTDAMCLGEX-UHFFFAOYSA-N
XLogP4.18
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one (CID 78148286) is 5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cnccc43)CC2)C1c1ccccc1.
What is the InChIKey of 5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is VNRKPTDAMCLGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-23(2)20(15-6-4-3-5-7-15)27(22(29)30-23)17-10-8-16(9-11-17)26-19-12-13-24-14-18(19)25-21(26)28/h3-7,12-14,16-17,20H,8-11H2,1-2H3,(H,25,28).
What are the key properties of 5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 406.49 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 78148286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).