4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one

C20H20N2O2 — CID 123142459

IUPAC4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCCC1OC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1CC
InChIInChI=1S/C20H20N2O2/c1-3-17-18(4-2)24-20(23)22(17)19-13-12-16(14-21-19)11-10-15-8-6-5-7-9-15/h5-9,12-14,17-18H,3-4H2,1-2H3
InChIKeyDJTFLAKGBQUVPV-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.00
Rot. Bonds3

About 4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one

4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 123142459) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID123142459
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCCC1OC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1CC
InChIInChI=1S/C20H20N2O2/c1-3-17-18(4-2)24-20(23)22(17)19-13-12-16(14-21-19)11-10-15-8-6-5-7-9-15/h5-9,12-14,17-18H,3-4H2,1-2H3
InChIKeyDJTFLAKGBQUVPV-UHFFFAOYSA-N
XLogP4.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[5-[(3E,5Z)-3-ethenylhepta-3,5-dien-1-ynyl]-2-pyridinyl]-4-ethyl-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 163795764
3-[5-(2-phenylethynyl)-2-pyridinyl]-5-propyl-1,3-oxazinan-2-one
CID 123650612
1-methyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 58464032
(3aR,6aS)-1-methyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
CID 58464137
5,5-dimethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 53493226
1-[5-(2-phenylethynyl)-2-pyridinyl]-3-propan-2-yl-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 58464044
(5S)-5-hydroxy-6,6-dimethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazinan-2-one
CID 67437322
(4S)-4-tert-butyl-3-methyl-1-[5-(2-phenylethynyl)-2-pyridinyl]imidazolidin-2-one
CID 67437318
5,5-dimethyl-1-[5-(2-phenylethynyl)-2-pyridinyl]piperidin-2-one
CID 53493228
2-[5-(2-phenylethynyl)-2-pyridinyl]-1,7,8,8a-tetrahydroimidazo[1,5-a]pyridin-3-one
CID 163599718
2-(3,3-dimethylpyrazolidin-1-yl)-5-(2-phenylethynyl)pyridine
CID 152538841
5-(1,1-difluoroethyl)-5-methyl-2-[5-(2-phenylethynyl)-2-pyridinyl]pyrazolidin-3-one
CID 149195244

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one (CID 123142459) is 4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one is CCC1OC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1CC.
What is the InChIKey of 4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is DJTFLAKGBQUVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-17-18(4-2)24-20(23)22(17)19-13-12-16(14-21-19)11-10-15-8-6-5-7-9-15/h5-9,12-14,17-18H,3-4H2,1-2H3.
What are the key properties of 4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 320.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 123142459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).