1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione

C20H20N4O3 — CID 102129284

IUPAC1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@@H](c3cccnc3)N(Cc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C20H20N4O3/c1-14-12-23(20(26)22-19(14)25)18-10-17(16-8-5-9-21-11-16)24(27-18)13-15-6-3-2-4-7-15/h2-9,11-12,17-18H,10,13H2,1H3,(H,22,25,26)/t17-,18+/m0/s1
InChIKeyAYFFEAFTDAGOPU-ZWKOTPCHSA-N
MW364.41 g/mol
LogP2.32
Rot. Bonds4

About 1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione

1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 102129284) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione
PubChem CID102129284
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@@H](c3cccnc3)N(Cc3ccccc3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C20H20N4O3/c1-14-12-23(20(26)22-19(14)25)18-10-17(16-8-5-9-21-11-16)24(27-18)13-15-6-3-2-4-7-15/h2-9,11-12,17-18H,10,13H2,1H3,(H,22,25,26)/t17-,18+/m0/s1
InChIKeyAYFFEAFTDAGOPU-ZWKOTPCHSA-N
XLogP2.32
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[(3R,5S)-2-benzyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,2-oxazolidin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 10504693
1-[(2R,4S,5R)-5-(1-hydrazinyl-3-phenylpropan-2-yl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 18658253
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine
CID 155208156
1-[(2S,5R)-5-(hydroxymethyl)-5-phenyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 102285706
5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione
CID 134138601
1-[(2R,4S,5S)-5-benzoyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15333774
1-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]-5-methylpyrimidine-2,4-dione
CID 10368003
1-[(2R,4S,5R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14079545
(2S,3S,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 170212817
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
imino-[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[[(pyridin-2-ylamino)-pyridin-3-yloxyphosphoryl]oxymethyl]oxolan-3-yl]iminoazanium
CID 146001136

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione (CID 102129284) is 1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@@H](c3cccnc3)N(Cc3ccccc3)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is AYFFEAFTDAGOPU-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-12-23(20(26)22-19(14)25)18-10-17(16-8-5-9-21-11-16)24(27-18)13-15-6-3-2-4-7-15/h2-9,11-12,17-18H,10,13H2,1H3,(H,22,25,26)/t17-,18+/m0/s1.
What are the key properties of 1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione?
1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 364.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5R)-2-benzyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 102129284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).