(4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one

C18H14N4O2 — CID 69282195

IUPAC(4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cncc(-c3ccccc3)c2)[C@H](c2ccnnc2)O1
InChIInChI=1S/C18H14N4O2/c23-18-22-16(17(24-18)13-6-7-20-21-11-13)15-8-14(9-19-10-15)12-4-2-1-3-5-12/h1-11,16-17H,(H,22,23)/t16-,17-/m0/s1
InChIKeySVGRPFLHGRSPIE-IRXDYDNUSA-N
MW318.34 g/mol
LogP3.06
Rot. Bonds3

About (4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one

(4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one (PubChem CID 69282195) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one
PubChem CID69282195
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name(4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cncc(-c3ccccc3)c2)[C@H](c2ccnnc2)O1
InChIInChI=1S/C18H14N4O2/c23-18-22-16(17(24-18)13-6-7-20-21-11-13)15-8-14(9-19-10-15)12-4-2-1-3-5-12/h1-11,16-17H,(H,22,23)/t16-,17-/m0/s1
InChIKeySVGRPFLHGRSPIE-IRXDYDNUSA-N
XLogP3.06
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5R)-5-phenyl-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one
CID 69282088
(4S,5S)-4-[5-(2-phenylethynyl)-3-pyridinyl]-5-pyridazin-4-yl-1,3-oxazolidin-2-one
CID 69084413
(4R,5S)-5-(2-methoxyphenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one
CID 69281923
(4R,5R)-4-(3-phenylphenyl)-5-pyridin-4-yl-1,3-oxazolidin-2-one
CID 70958315
(4S,5R)-5-(2,5-dichlorophenyl)-4-(5-phenyl-3-pyridinyl)-1,3-oxazolidin-2-one
CID 69282179
(4R,5R)-5-phenyl-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-phenyl-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 158837271
(4R,5R)-4-[2-(5-fluoro-3-pyridinyl)-4-pyridinyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 70958305
5-[5-[(4R,5R)-5-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-3-pyridinyl]pyridine-3-carbonitrile
CID 70958434
(4R,5R)-4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 69081724
4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 69081725
(4R)-5-(2,5-difluorophenyl)-4-(5-pyrazin-2-yl-3-pyridinyl)-1,3-oxazolidin-2-one
CID 70958381
(4R,5R)-5-(4-fluorophenyl)-4-[5-(2-pyridin-2-ylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 70957308

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one (CID 69282195) is (4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one is O=C1N[C@@H](c2cncc(-c3ccccc3)c2)[C@H](c2ccnnc2)O1.
What is the InChIKey of (4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one?
The InChIKey is SVGRPFLHGRSPIE-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-18-22-16(17(24-18)13-6-7-20-21-11-13)15-8-14(9-19-10-15)12-4-2-1-3-5-12/h1-11,16-17H,(H,22,23)/t16-,17-/m0/s1.
What are the key properties of (4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one?
(4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one has a molecular weight of 318.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(5-phenyl-3-pyridinyl)-5-pyridazin-4-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69282195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).