[4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone

C23H28FN3O2 — CID 172581704

IUPAC[4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
SMILESCc1ccc([C@@H]2CCON2C(=O)C2CCC(Cc3cc(C)ncc3F)CC2)cn1
InChIInChI=1S/C23H28FN3O2/c1-15-3-6-19(13-25-15)22-9-10-29-27(22)23(28)18-7-4-17(5-8-18)12-20-11-16(2)26-14-21(20)24/h3,6,11,13-14,17-18,22H,4-5,7-10,12H2,1-2H3/t17?,18?,22-/m0/s1
InChIKeyUFFDNTQOBONBMH-IRZJEQJZSA-N
MW397.49 g/mol
LogP4.49
Rot. Bonds4

About [4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone

[4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone (PubChem CID 172581704) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is [4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
PubChem CID172581704
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name[4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
SMILESCc1ccc([C@@H]2CCON2C(=O)C2CCC(Cc3cc(C)ncc3F)CC2)cn1
InChIInChI=1S/C23H28FN3O2/c1-15-3-6-19(13-25-15)22-9-10-29-27(22)23(28)18-7-4-17(5-8-18)12-20-11-16(2)26-14-21(20)24/h3,6,11,13-14,17-18,22H,4-5,7-10,12H2,1-2H3/t17?,18?,22-/m0/s1
InChIKeyUFFDNTQOBONBMH-IRZJEQJZSA-N
XLogP4.49
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone with MolForge

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Related Compounds

[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-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
CID 172581916
[4-[(5-fluoro-2-methyl-3-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
CID 172582080
[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-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376503
[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
4-fluoro-6-[[4-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]-2,3-dihydroisoindol-1-one
CID 172582213
(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid
CID 129188798
[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[4-[(6-fluoropyrrolo[3,2-b]pyridin-1-yl)methyl]cyclohexyl]methanone
CID 172581845
[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone
CID 155250733
6-[[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]-2,3-dihydroisoindol-1-one
CID 172581796
[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-[1-[4-(oxetan-3-yl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 172581423

Frequently Asked Questions

What is the IUPAC name of [4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone?
The IUPAC name of [4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone (CID 172581704) is [4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone.
What is the SMILES notation for [4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone?
The canonical SMILES for [4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone is Cc1ccc([C@@H]2CCON2C(=O)C2CCC(Cc3cc(C)ncc3F)CC2)cn1.
What is the InChIKey of [4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone?
The InChIKey is UFFDNTQOBONBMH-IRZJEQJZSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-15-3-6-19(13-25-15)22-9-10-29-27(22)23(28)18-7-4-17(5-8-18)12-20-11-16(2)26-14-21(20)24/h3,6,11,13-14,17-18,22H,4-5,7-10,12H2,1-2H3/t17?,18?,22-/m0/s1.
What are the key properties of [4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone?
[4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone has a molecular weight of 397.49 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone is sourced from PubChem (CID 172581704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).