6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C20H20N4O4 — CID 125015418

IUPAC6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C20H20N4O4/c25-17-11-15(22-20(27)23-17)19(26)24-9-5-4-8-16(24)18-21-12-14(28-18)10-13-6-2-1-3-7-13/h1-3,6-7,11-12,16H,4-5,8-10H2,(H2,22,23,25,27)/t16-/m1/s1
InChIKeyWTOBKSQUTQMPMC-MRXNPFEDSA-N
MW380.40 g/mol
LogP2.01
Rot. Bonds4

About 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 125015418) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID125015418
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1
InChIInChI=1S/C20H20N4O4/c25-17-11-15(22-20(27)23-17)19(26)24-9-5-4-8-16(24)18-21-12-14(28-18)10-13-6-2-1-3-7-13/h1-3,6-7,11-12,16H,4-5,8-10H2,(H2,22,23,25,27)/t16-/m1/s1
InChIKeyWTOBKSQUTQMPMC-MRXNPFEDSA-N
XLogP2.01
TPSA112.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

6-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 124946116
6-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 124944113
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 124990775
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
CID 124998094
[2-(5-benzyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-phenylmethanone
CID 110131433
[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124972691
6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 124969150
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 124955389
1-[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124949631
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 124954942
6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95871248
[(2S)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 124976109

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 125015418) is 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1.
What is the InChIKey of 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WTOBKSQUTQMPMC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-17-11-15(22-20(27)23-17)19(26)24-9-5-4-8-16(24)18-21-12-14(28-18)10-13-6-2-1-3-7-13/h1-3,6-7,11-12,16H,4-5,8-10H2,(H2,22,23,25,27)/t16-/m1/s1.
What are the key properties of 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 380.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 125015418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).