[(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate

C20H27N3O5 — CID 171350908

IUPAC[(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate
SMILESO=C(OC[C@H]1CN(c2ccc(N3CCOCC3)nc2)C(=O)O1)C1CCCCC1
InChIInChI=1S/C20H27N3O5/c24-19(15-4-2-1-3-5-15)27-14-17-13-23(20(25)28-17)16-6-7-18(21-12-16)22-8-10-26-11-9-22/h6-7,12,15,17H,1-5,8-11,13-14H2/t17-/m1/s1
InChIKeyZDGQOYRDRWYUHP-QGZVFWFLSA-N
MW389.45 g/mol
LogP2.37
Rot. Bonds5

About [(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate

[(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate (PubChem CID 171350908) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is [(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate.

Molecular Properties

Compound Name[(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate
PubChem CID171350908
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name[(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate
SMILESO=C(OC[C@H]1CN(c2ccc(N3CCOCC3)nc2)C(=O)O1)C1CCCCC1
InChIInChI=1S/C20H27N3O5/c24-19(15-4-2-1-3-5-15)27-14-17-13-23(20(25)28-17)16-6-7-18(21-12-16)22-8-10-26-11-9-22/h6-7,12,15,17H,1-5,8-11,13-14H2/t17-/m1/s1
InChIKeyZDGQOYRDRWYUHP-QGZVFWFLSA-N
XLogP2.37
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate?
The IUPAC name of [(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate (CID 171350908) is [(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate.
What is the SMILES notation for [(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate?
The canonical SMILES for [(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate is O=C(OC[C@H]1CN(c2ccc(N3CCOCC3)nc2)C(=O)O1)C1CCCCC1.
What is the InChIKey of [(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate?
The InChIKey is ZDGQOYRDRWYUHP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3O5/c24-19(15-4-2-1-3-5-15)27-14-17-13-23(20(25)28-17)16-6-7-18(21-12-16)22-8-10-26-11-9-22/h6-7,12,15,17H,1-5,8-11,13-14H2/t17-/m1/s1.
What are the key properties of [(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate?
[(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate has a molecular weight of 389.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-(6-morpholin-4-yl-3-pyridinyl)-2-oxo-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate is sourced from PubChem (CID 171350908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).