(5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione

C18H19N3O5 — CID 11739804

IUPAC(5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1)C[C@@H](N1CCOC1=O)O2
InChIInChI=1S/C18H19N3O5/c1-19-15(22)14-12(11-6-4-3-5-7-11)10-13(21-8-9-25-18(21)24)26-16(14)20(2)17(19)23/h3-7,12-13H,8-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyLCZKWRHEXDYLQC-STQMWFEESA-N
MW357.37 g/mol
LogP0.78
Rot. Bonds2

About (5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione

(5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione (PubChem CID 11739804) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is (5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
PubChem CID11739804
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name(5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1)C[C@@H](N1CCOC1=O)O2
InChIInChI=1S/C18H19N3O5/c1-19-15(22)14-12(11-6-4-3-5-7-11)10-13(21-8-9-25-18(21)24)26-16(14)20(2)17(19)23/h3-7,12-13H,8-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyLCZKWRHEXDYLQC-STQMWFEESA-N
XLogP0.78
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

(5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
CID 102263224
(5S,7R)-7-(4-methoxyphenyl)-1,3-dimethyl-5-(4-nitrophenyl)-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
CID 101117534
1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone
CID 102262087
(5'S)-1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone
CID 125121936
3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 101132286
7-amino-1,3-dimethyl-2,4-dioxo-5-phenyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 2815157
3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one
CID 56799193
6-amino-1,3-dimethyl-5-[2-(4-phenylpiperidin-1-yl)acetyl]pyrimidine-2,4-dione
CID 55543694
(5R)-7-amino-1,3-dimethyl-2,4-dioxo-5-[5-[(1S,2S)-2-phenylcyclopropyl]furan-2-yl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 51860514
methyl (1S,9S,10S)-4,6-dimethyl-9-(4-methylphenyl)-3,5-dioxo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-10-carboxylate
CID 102422371
(4S)-4-phenyloxolane-2,3-dione
CID 129383036
1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
CID 102511831

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of (5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione (CID 11739804) is (5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for (5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for (5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1)C[C@@H](N1CCOC1=O)O2.
What is the InChIKey of (5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LCZKWRHEXDYLQC-STQMWFEESA-N. The full InChI is InChI=1S/C18H19N3O5/c1-19-15(22)14-12(11-6-4-3-5-7-11)10-13(21-8-9-25-18(21)24)26-16(14)20(2)17(19)23/h3-7,12-13H,8-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione?
(5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione has a molecular weight of 357.37 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11739804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).