(4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one

C18H20N2O3 — CID 7327761

IUPAC(4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESC[C@]1(c2cccnc2)OC(=O)N(CCc2ccccc2)[C@@]1(C)O
InChIInChI=1S/C18H20N2O3/c1-17(15-9-6-11-19-13-15)18(2,22)20(16(21)23-17)12-10-14-7-4-3-5-8-14/h3-9,11,13,22H,10,12H2,1-2H3/t17-,18+/m1/s1
InChIKeyACFVCYZIRGWJBP-MSOLQXFVSA-N
MW312.37 g/mol
LogP2.70
Rot. Bonds4

About (4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one

(4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one (PubChem CID 7327761) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one
PubChem CID7327761
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESC[C@]1(c2cccnc2)OC(=O)N(CCc2ccccc2)[C@@]1(C)O
InChIInChI=1S/C18H20N2O3/c1-17(15-9-6-11-19-13-15)18(2,22)20(16(21)23-17)12-10-14-7-4-3-5-8-14/h3-9,11,13,22H,10,12H2,1-2H3/t17-,18+/m1/s1
InChIKeyACFVCYZIRGWJBP-MSOLQXFVSA-N
XLogP2.70
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one (CID 7327761) is (4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one is C[C@]1(c2cccnc2)OC(=O)N(CCc2ccccc2)[C@@]1(C)O.
What is the InChIKey of (4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is ACFVCYZIRGWJBP-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-17(15-9-6-11-19-13-15)18(2,22)20(16(21)23-17)12-10-14-7-4-3-5-8-14/h3-9,11,13,22H,10,12H2,1-2H3/t17-,18+/m1/s1.
What are the key properties of (4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one?
(4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-hydroxy-4,5-dimethyl-3-(2-phenylethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 7327761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).