(5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one

C18H16N4O2 — CID 99855665

IUPAC(5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](Cn2nccc2-c2ccncc2)CN1c1ccccc1
InChIInChI=1S/C18H16N4O2/c23-18-21(15-4-2-1-3-5-15)12-16(24-18)13-22-17(8-11-20-22)14-6-9-19-10-7-14/h1-11,16H,12-13H2/t16-/m0/s1
InChIKeyXFSBDXZFOGZJKS-INIZCTEOSA-N
MW320.35 g/mol
LogP2.97
Rot. Bonds4

About (5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one

(5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 99855665) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is (5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID99855665
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name(5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](Cn2nccc2-c2ccncc2)CN1c1ccccc1
InChIInChI=1S/C18H16N4O2/c23-18-21(15-4-2-1-3-5-15)12-16(24-18)13-22-17(8-11-20-22)14-6-9-19-10-7-14/h1-11,16H,12-13H2/t16-/m0/s1
InChIKeyXFSBDXZFOGZJKS-INIZCTEOSA-N
XLogP2.97
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-[(5-methyltetrazol-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 86792135
5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 86795311
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
5-(fluoromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 555364
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
5-benzyl-3-phenyl-1,3-oxazolidin-2-one
CID 21393580
5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 117063703
5-(2-aminoethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 15117126
(5S)-5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 100910145
5-[2-[2-[2-[2-[2-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-3-phenyl-1,3-oxazolidin-2-one
CID 16754539
(5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 69364737
(5R)-5-(azidomethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11458625

Frequently Asked Questions

What is the IUPAC name of (5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 99855665) is (5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1O[C@H](Cn2nccc2-c2ccncc2)CN1c1ccccc1.
What is the InChIKey of (5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is XFSBDXZFOGZJKS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-18-21(15-4-2-1-3-5-15)12-16(24-18)13-22-17(8-11-20-22)14-6-9-19-10-7-14/h1-11,16H,12-13H2/t16-/m0/s1.
What are the key properties of (5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
(5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 320.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 99855665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).