[4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone

C22H27ClN4O2 — CID 172581916

IUPAC[4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
SMILESCc1cnc([C@@H]2CCON2C(=O)C2CCC(Cc3cc(C)ncc3Cl)CC2)cn1
InChIInChI=1S/C22H27ClN4O2/c1-14-9-18(19(23)12-24-14)10-16-3-5-17(6-4-16)22(28)27-21(7-8-29-27)20-13-25-15(2)11-26-20/h9,11-13,16-17,21H,3-8,10H2,1-2H3/t16?,17?,21-/m0/s1
InChIKeyVXGXOZJAXNPGMH-BPZDKFOGSA-N
MW414.94 g/mol
LogP4.40
Rot. Bonds4

About [4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone

[4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone (PubChem CID 172581916) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is [4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
PubChem CID172581916
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name[4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
SMILESCc1cnc([C@@H]2CCON2C(=O)C2CCC(Cc3cc(C)ncc3Cl)CC2)cn1
InChIInChI=1S/C22H27ClN4O2/c1-14-9-18(19(23)12-24-14)10-16-3-5-17(6-4-16)22(28)27-21(7-8-29-27)20-13-25-15(2)11-26-20/h9,11-13,16-17,21H,3-8,10H2,1-2H3/t16?,17?,21-/m0/s1
InChIKeyVXGXOZJAXNPGMH-BPZDKFOGSA-N
XLogP4.40
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone with MolForge

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Related Compounds

[4-[(5-fluoro-2-methyl-3-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
CID 172582080
[4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
CID 172581704
[1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
CID 168838981
[4-[(3,5-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
CID 172582197
[4-[(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-pyrazin-2-yl-1,2-oxazolidin-2-yl]methanone
CID 172581612
[4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone
CID 172581991
[4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
CID 172582043
2-fluoro-5-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]benzamide
CID 172581735
[4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone
CID 172581874
5-[(3S)-2-[4-(hydroxymethyl)cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 172582773
N-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
CID 155793631
[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[4-[(6-fluoropyrrolo[3,2-b]pyridin-1-yl)methyl]cyclohexyl]methanone
CID 172581845

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone?
The IUPAC name of [4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone (CID 172581916) is [4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone.
What is the SMILES notation for [4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone?
The canonical SMILES for [4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone is Cc1cnc([C@@H]2CCON2C(=O)C2CCC(Cc3cc(C)ncc3Cl)CC2)cn1.
What is the InChIKey of [4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone?
The InChIKey is VXGXOZJAXNPGMH-BPZDKFOGSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-14-9-18(19(23)12-24-14)10-16-3-5-17(6-4-16)22(28)27-21(7-8-29-27)20-13-25-15(2)11-26-20/h9,11-13,16-17,21H,3-8,10H2,1-2H3/t16?,17?,21-/m0/s1.
What are the key properties of [4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone?
[4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone has a molecular weight of 414.94 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone is sourced from PubChem (CID 172581916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).