ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate

C16H17N3O6 — CID 130177678

IUPACethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=CN(c2ccc(N3CCOC3=O)cc2)C(O)NC1=O
InChIInChI=1S/C16H17N3O6/c1-2-24-14(21)12-9-19(15(22)17-13(12)20)11-5-3-10(4-6-11)18-7-8-25-16(18)23/h3-6,9,15,22H,2,7-8H2,1H3,(H,17,20)
InChIKeyYPPXEBDINRAGJH-UHFFFAOYSA-N
MW347.33 g/mol
LogP0.30
Rot. Bonds4

About ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate

ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate (PubChem CID 130177678) has the molecular formula C16H17N3O6 and a molecular weight of 347.33 g/mol. Its IUPAC name is ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate
PubChem CID130177678
Molecular FormulaC16H17N3O6
Molecular Weight347.33 g/mol
Exact Mass347.11
IUPAC Nameethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=CN(c2ccc(N3CCOC3=O)cc2)C(O)NC1=O
InChIInChI=1S/C16H17N3O6/c1-2-24-14(21)12-9-19(15(22)17-13(12)20)11-5-3-10(4-6-11)18-7-8-25-16(18)23/h3-6,9,15,22H,2,7-8H2,1H3,(H,17,20)
InChIKeyYPPXEBDINRAGJH-UHFFFAOYSA-N
XLogP0.30
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate
CID 142694824
N,N-diethyl-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 52587818
ethyl 2,2-difluoro-2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetate
CID 155671088
3-[4-(2-hydroxyethyl)phenyl]-1,3-oxazolidin-2-one
CID 23020757
3-[4-[(1R)-1-amino-2-hydroxyethyl]phenyl]-1,3-oxazolidin-2-one
CID 164875438
3-[4-[2-[3-(4-ethylphenyl)piperidin-1-yl]-2-oxoethyl]phenyl]-1,3-oxazolidin-2-one
CID 126809257
[(1R)-3-(4-hydroxypiperidin-1-yl)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propyl] carbamate
CID 177296654
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(1-propylpiperidin-4-yl)urea
CID 56794708
2-(4-methylphenoxy)-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
CID 110363436
3-fluoro-4-methyl-N-[2-[[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]amino]ethyl]benzamide
CID 55688065
N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]propanamide
CID 90551244
tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
CID 141011533

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate (CID 130177678) is ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=CN(c2ccc(N3CCOC3=O)cc2)C(O)NC1=O.
What is the InChIKey of ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate?
The InChIKey is YPPXEBDINRAGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6/c1-2-24-14(21)12-9-19(15(22)17-13(12)20)11-5-3-10(4-6-11)18-7-8-25-16(18)23/h3-6,9,15,22H,2,7-8H2,1H3,(H,17,20).
What are the key properties of ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate?
ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate has a molecular weight of 347.33 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 130177678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).