(4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one

C17H18N2O2 — CID 72911799

IUPAC(4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccc2)N1CCCc1cccnc1
InChIInChI=1S/C17H18N2O2/c20-17-19(11-5-7-14-6-4-10-18-12-14)16(13-21-17)15-8-2-1-3-9-15/h1-4,6,8-10,12,16H,5,7,11,13H2/t16-/m1/s1
InChIKeyHXPMKBUCRORCNY-MRXNPFEDSA-N
MW282.34 g/mol
LogP3.21
Rot. Bonds5

About (4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one

(4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one (PubChem CID 72911799) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one
PubChem CID72911799
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccc2)N1CCCc1cccnc1
InChIInChI=1S/C17H18N2O2/c20-17-19(11-5-7-14-6-4-10-18-12-14)16(13-21-17)15-8-2-1-3-9-15/h1-4,6,8-10,12,16H,5,7,11,13H2/t16-/m1/s1
InChIKeyHXPMKBUCRORCNY-MRXNPFEDSA-N
XLogP3.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one (CID 72911799) is (4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one is O=C1OC[C@H](c2ccccc2)N1CCCc1cccnc1.
What is the InChIKey of (4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is HXPMKBUCRORCNY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17-19(11-5-7-14-6-4-10-18-12-14)16(13-21-17)15-8-2-1-3-9-15/h1-4,6,8-10,12,16H,5,7,11,13H2/t16-/m1/s1.
What are the key properties of (4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one?
(4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 72911799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).