(5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one

C16H20N2O4 — CID 70053267

IUPAC(5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESCOC[C@@H]1CN(c2ccc(C3CCC(=O)CC3)nc2)C(=O)O1
InChIInChI=1S/C16H20N2O4/c1-21-10-14-9-18(16(20)22-14)12-4-7-15(17-8-12)11-2-5-13(19)6-3-11/h4,7-8,11,14H,2-3,5-6,9-10H2,1H3/t14-/m0/s1
InChIKeyKEPZUKPHEFHMNQ-AWEZNQCLSA-N
MW304.35 g/mol
LogP2.28
Rot. Bonds4

About (5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one

(5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 70053267) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID70053267
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESCOC[C@@H]1CN(c2ccc(C3CCC(=O)CC3)nc2)C(=O)O1
InChIInChI=1S/C16H20N2O4/c1-21-10-14-9-18(16(20)22-14)12-4-7-15(17-8-12)11-2-5-13(19)6-3-11/h4,7-8,11,14H,2-3,5-6,9-10H2,1H3/t14-/m0/s1
InChIKeyKEPZUKPHEFHMNQ-AWEZNQCLSA-N
XLogP2.28
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-(6-bromo-3-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 23371856
3-(4-cyclohexylphenyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 15987062
(5S)-3-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 70050434
2-[4-[4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexylidene]acetonitrile
CID 54090920
(5R)-5-(methoxymethyl)-3-[4-(3-oxobutoxy)phenyl]-1,3-oxazolidin-2-one
CID 18646211
(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10411371
4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one
CID 142685354
5-(methoxymethyl)-3-(2-propyl-3,4-dihydro-2H-chromen-6-yl)-1,3-oxazolidin-2-one
CID 67581639
(5R)-3-[4-(3-hydroxypropyl)phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 10378182
4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperidine-1-carboxylate
CID 23371834
[4-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclohexyl] acetate
CID 54456815
3-(7-hydroxynaphthalen-2-yl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 19012479

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one (CID 70053267) is (5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one is COC[C@@H]1CN(c2ccc(C3CCC(=O)CC3)nc2)C(=O)O1.
What is the InChIKey of (5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is KEPZUKPHEFHMNQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-21-10-14-9-18(16(20)22-14)12-4-7-15(17-8-12)11-2-5-13(19)6-3-11/h4,7-8,11,14H,2-3,5-6,9-10H2,1H3/t14-/m0/s1.
What are the key properties of (5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
(5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 304.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethyl)-3-[6-(4-oxocyclohexyl)-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70053267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).