(5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one

C18H26N2O3 — CID 44591712

IUPAC(5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC(Oc1ccc(CN2C[C@@H](C)OC2=O)cn1)C1CCCCC1
InChIInChI=1S/C18H26N2O3/c1-13-11-20(18(21)22-13)12-15-8-9-17(19-10-15)23-14(2)16-6-4-3-5-7-16/h8-10,13-14,16H,3-7,11-12H2,1-2H3/t13-,14?/m1/s1
InChIKeyMFRCOQXLJGTTAZ-KWCCSABGSA-N
MW318.42 g/mol
LogP3.77
Rot. Bonds5

About (5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one

(5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 44591712) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID44591712
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC(Oc1ccc(CN2C[C@@H](C)OC2=O)cn1)C1CCCCC1
InChIInChI=1S/C18H26N2O3/c1-13-11-20(18(21)22-13)12-15-8-9-17(19-10-15)23-14(2)16-6-4-3-5-7-16/h8-10,13-14,16H,3-7,11-12H2,1-2H3/t13-,14?/m1/s1
InChIKeyMFRCOQXLJGTTAZ-KWCCSABGSA-N
XLogP3.77
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one (CID 44591712) is (5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one is CC(Oc1ccc(CN2C[C@@H](C)OC2=O)cn1)C1CCCCC1.
What is the InChIKey of (5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is MFRCOQXLJGTTAZ-KWCCSABGSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-11-20(18(21)22-13)12-15-8-9-17(19-10-15)23-14(2)16-6-4-3-5-7-16/h8-10,13-14,16H,3-7,11-12H2,1-2H3/t13-,14?/m1/s1.
What are the key properties of (5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[6-(1-cyclohexylethoxy)-3-pyridinyl]methyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 44591712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).