(5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one

C14H26N2O3 — CID 10445851

IUPAC(5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one
SMILESCCN1C[C@@H]([C@H](O)[C@@H](N)CC2CCCCC2)OC1=O
InChIInChI=1S/C14H26N2O3/c1-2-16-9-12(19-14(16)18)13(17)11(15)8-10-6-4-3-5-7-10/h10-13,17H,2-9,15H2,1H3/t11-,12-,13+/m0/s1
InChIKeyGGRFWDVXYAJKPK-RWMBFGLXSA-N
MW270.37 g/mol
LogP1.49
Rot. Bonds5

About (5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one

(5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one (PubChem CID 10445851) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one
PubChem CID10445851
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one
SMILESCCN1C[C@@H]([C@H](O)[C@@H](N)CC2CCCCC2)OC1=O
InChIInChI=1S/C14H26N2O3/c1-2-16-9-12(19-14(16)18)13(17)11(15)8-10-6-4-3-5-7-10/h10-13,17H,2-9,15H2,1H3/t11-,12-,13+/m0/s1
InChIKeyGGRFWDVXYAJKPK-RWMBFGLXSA-N
XLogP1.49
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one (CID 10445851) is (5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one is CCN1C[C@@H]([C@H](O)[C@@H](N)CC2CCCCC2)OC1=O.
What is the InChIKey of (5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one?
The InChIKey is GGRFWDVXYAJKPK-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-16-9-12(19-14(16)18)13(17)11(15)8-10-6-4-3-5-7-10/h10-13,17H,2-9,15H2,1H3/t11-,12-,13+/m0/s1.
What are the key properties of (5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one?
(5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one has a molecular weight of 270.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1R,2S)-2-amino-3-cyclohexyl-1-hydroxypropyl]-3-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10445851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).