[(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol

C24H41N3O2 — CID 66613173

IUPAC[(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol
SMILESCC[C@H]1CN(Cc2cccc(CN(CCN(C)C)C3CCCCC3)c2)O[C@H]1CO
InChIInChI=1S/C24H41N3O2/c1-4-22-18-27(29-24(22)19-28)17-21-10-8-9-20(15-21)16-26(14-13-25(2)3)23-11-6-5-7-12-23/h8-10,15,22-24,28H,4-7,11-14,16-19H2,1-3H3/t22-,24-/m0/s1
InChIKeyRCMFCIVPXYAJMR-UPVQGACJSA-N
MW403.61 g/mol
LogP3.52
Rot. Bonds10

About [(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol

[(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol (PubChem CID 66613173) has the molecular formula C24H41N3O2 and a molecular weight of 403.61 g/mol. Its IUPAC name is [(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol
PubChem CID66613173
Molecular FormulaC24H41N3O2
Molecular Weight403.61 g/mol
Exact Mass403.32
IUPAC Name[(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol
SMILESCC[C@H]1CN(Cc2cccc(CN(CCN(C)C)C3CCCCC3)c2)O[C@H]1CO
InChIInChI=1S/C24H41N3O2/c1-4-22-18-27(29-24(22)19-28)17-21-10-8-9-20(15-21)16-26(14-13-25(2)3)23-11-6-5-7-12-23/h8-10,15,22-24,28H,4-7,11-14,16-19H2,1-3H3/t22-,24-/m0/s1
InChIKeyRCMFCIVPXYAJMR-UPVQGACJSA-N
XLogP3.52
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.61
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol?
The IUPAC name of [(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol (CID 66613173) is [(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol.
What is the SMILES notation for [(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol?
The canonical SMILES for [(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol is CC[C@H]1CN(Cc2cccc(CN(CCN(C)C)C3CCCCC3)c2)O[C@H]1CO.
What is the InChIKey of [(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol?
The InChIKey is RCMFCIVPXYAJMR-UPVQGACJSA-N. The full InChI is InChI=1S/C24H41N3O2/c1-4-22-18-27(29-24(22)19-28)17-21-10-8-9-20(15-21)16-26(14-13-25(2)3)23-11-6-5-7-12-23/h8-10,15,22-24,28H,4-7,11-14,16-19H2,1-3H3/t22-,24-/m0/s1.
What are the key properties of [(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol?
[(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol has a molecular weight of 403.61 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-2-[[3-[[cyclohexyl-[2-(dimethylamino)ethyl]amino]methyl]phenyl]methyl]-4-ethyl-1,2-oxazolidin-5-yl]methanol is sourced from PubChem (CID 66613173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).