ethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate

C17H16N2O5 — CID 177236760

IUPACethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CC(c2coc(-c3ccccc3)n2)NC1=O
InChIInChI=1S/C17H16N2O5/c1-2-23-17(22)14-13(20)8-11(18-15(14)21)12-9-24-16(19-12)10-6-4-3-5-7-10/h3-7,9,11,20H,2,8H2,1H3,(H,18,21)
InChIKeyWKIZPSNRXPTGAU-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.28
Rot. Bonds4

About ethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate

ethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate (PubChem CID 177236760) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is ethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate
PubChem CID177236760
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Nameethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(O)CC(c2coc(-c3ccccc3)n2)NC1=O
InChIInChI=1S/C17H16N2O5/c1-2-23-17(22)14-13(20)8-11(18-15(14)21)12-9-24-16(19-12)10-6-4-3-5-7-10/h3-7,9,11,20H,2,8H2,1H3,(H,18,21)
InChIKeyWKIZPSNRXPTGAU-UHFFFAOYSA-N
XLogP2.28
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze ethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 2-(4-bromofuran-2-yl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate
CID 177236765
ethyl 4-(2-phenyl-1,3-oxazol-4-yl)-1H-pyrrole-2-carboxylate
CID 159374532
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
2-phenyl-4-pyrrolidin-2-yl-1,3-oxazole
CID 115028763
cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 71452942
ethyl 4-hydroxy-1-methyl-6-oxo-2-quinolin-2-yl-2,3-dihydropyridine-5-carboxylate
CID 54716139
ethyl 4-(2-phenyl-1,3-oxazole-4-carbonyl)piperazine-1-carboxylate
CID 46896218
ethyl 3,3-dimethyl-5-(2-phenyl-1,3-oxazol-4-yl)pentanoate
CID 160527947
ethyl 4-cyclopropyl-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 55445963
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
4-(azetidin-3-yl)-2-phenyl-1,3-oxazole
CID 105452809
ethyl 1-[(2-phenyl-1,3-oxazol-4-yl)methyl]indole-2-carboxylate
CID 58307058

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of ethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate (CID 177236760) is ethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate is CCOC(=O)C1=C(O)CC(c2coc(-c3ccccc3)n2)NC1=O.
What is the InChIKey of ethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is WKIZPSNRXPTGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-2-23-17(22)14-13(20)8-11(18-15(14)21)12-9-24-16(19-12)10-6-4-3-5-7-10/h3-7,9,11,20H,2,8H2,1H3,(H,18,21).
What are the key properties of ethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate?
ethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 328.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-6-oxo-2-(2-phenyl-1,3-oxazol-4-yl)-2,3-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 177236760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).