(4S)-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 71681177

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

(4S)-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 71681177) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (4S)-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 Name: (4S)-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: 71681177
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: (4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
• SMILES: CC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cnccc43)CC2)[C@H]1c1ccccc1
• InChI: 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)/t16?,17?,20-/m0/s1
• InChIKey: VNRKPTDAMCLGEX-UHYCVJNDSA-N
• XLogP: 4.18
• TPSA: 80.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-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 (4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one (CID 71681177) is (4S)-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 (4S)-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 (4S)-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)[C@H]1c1ccccc1.

What is the InChIKey of (4S)-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-UHYCVJNDSA-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)/t16?,17?,20-/m0/s1.

What are the key properties of (4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?

(4S)-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 (4S)-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 71681177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).