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

C23H26N4O3 — CID 71681178

IUPAC(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4ncccc43)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C23H26N4O3/c1-23(2)19(15-7-4-3-5-8-15)27(22(29)30-23)17-12-10-16(11-13-17)26-18-9-6-14-24-20(18)25-21(26)28/h3-9,14,16-17,19H,10-13H2,1-2H3,(H,24,25,28)/t16?,17?,19-/m0/s1
InChIKeyLXUUSGOHHUQMAK-TVPLGVNVSA-N
MW406.49 g/mol
LogP4.18
Rot. Bonds3

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

(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 71681178) 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-b]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-b]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID71681178
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4ncccc43)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C23H26N4O3/c1-23(2)19(15-7-4-3-5-8-15)27(22(29)30-23)17-12-10-16(11-13-17)26-18-9-6-14-24-20(18)25-21(26)28/h3-9,14,16-17,19H,10-13H2,1-2H3,(H,24,25,28)/t16?,17?,19-/m0/s1
InChIKeyLXUUSGOHHUQMAK-TVPLGVNVSA-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

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Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-b]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-b]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one (CID 71681178) is (4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-b]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-b]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-b]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4ncccc43)CC2)[C@H]1c1ccccc1.
What is the InChIKey of (4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is LXUUSGOHHUQMAK-TVPLGVNVSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-23(2)19(15-7-4-3-5-8-15)27(22(29)30-23)17-12-10-16(11-13-17)26-18-9-6-14-24-20(18)25-21(26)28/h3-9,14,16-17,19H,10-13H2,1-2H3,(H,24,25,28)/t16?,17?,19-/m0/s1.
What are the key properties of (4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-5,5-dimethyl-3-[4-(2-oxo-3H-imidazo[4,5-b]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-b]pyridin-1-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71681178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).