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

C23H26N4O3 — CID 78148422

IUPAC5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cccnc43)CC2)C1c1ccccc1
InChIInChI=1S/C23H26N4O3/c1-23(2)19(15-7-4-3-5-8-15)26(22(29)30-23)16-10-12-17(13-11-16)27-20-18(25-21(27)28)9-6-14-24-20/h3-9,14,16-17,19H,10-13H2,1-2H3,(H,25,28)
InChIKeyVERJHOAQBPYQNX-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.18
Rot. Bonds3

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

5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 78148422) 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-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID78148422
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cccnc43)CC2)C1c1ccccc1
InChIInChI=1S/C23H26N4O3/c1-23(2)19(15-7-4-3-5-8-15)26(22(29)30-23)16-10-12-17(13-11-16)27-20-18(25-21(27)28)9-6-14-24-20/h3-9,14,16-17,19H,10-13H2,1-2H3,(H,25,28)
InChIKeyVERJHOAQBPYQNX-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

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Launch Full Analysis

Related Compounds

8-[[[6-(2-Fluorophenyl)-3-pyridinyl]amino]methyl]-3-pyridin-2-yl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 44158441
(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
(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
3-[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carbonitrile
CID 71681331
(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71681485
(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71681487
(4S)-5,5-dimethyl-3-[4-(8-oxo-7H-purin-9-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71681649
(4S)-3-[4-(6-amino-3-pyridinyl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 72724968
(4S)-5,5-dimethyl-3-[4-(2-oxo-1-pyrimidin-2-yl-3H-imidazo[4,5-b]pyridin-6-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71712239
(4S)-3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 71681328
(S)-5,5-dimethyl-4-phenyl-3-(2-((S)-1-phenylethylamino)pyrimidin-4-yl) oxazolidin-2-one
CID 86730212
(4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 89489743

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one (CID 78148422) is 5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(C2CCC(n3c(=O)[nH]c4cccnc43)CC2)C1c1ccccc1.
What is the InChIKey of 5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is VERJHOAQBPYQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-23(2)19(15-7-4-3-5-8-15)26(22(29)30-23)16-10-12-17(13-11-16)27-20-18(25-21(27)28)9-6-14-24-20/h3-9,14,16-17,19H,10-13H2,1-2H3,(H,25,28).
What are the key properties of 5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one?
5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-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-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 78148422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).