1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione

C16H20N4O5 — CID 110146942

IUPAC1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione
SMILESCCc1cc(C(=O)N2CC[C@@](C)(O)[C@H](n3ccc(=O)[nH]c3=O)C2)no1
InChIInChI=1S/C16H20N4O5/c1-3-10-8-11(18-25-10)14(22)19-7-5-16(2,24)12(9-19)20-6-4-13(21)17-15(20)23/h4,6,8,12,24H,3,5,7,9H2,1-2H3,(H,17,21,23)/t12-,16-/m1/s1
InChIKeyBOSJTPQBXCLSOT-MLGOLLRUSA-N
MW348.36 g/mol
LogP-0.07
Rot. Bonds3

About 1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione

1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione (PubChem CID 110146942) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione
PubChem CID110146942
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Name1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione
SMILESCCc1cc(C(=O)N2CC[C@@](C)(O)[C@H](n3ccc(=O)[nH]c3=O)C2)no1
InChIInChI=1S/C16H20N4O5/c1-3-10-8-11(18-25-10)14(22)19-7-5-16(2,24)12(9-19)20-6-4-13(21)17-15(20)23/h4,6,8,12,24H,3,5,7,9H2,1-2H3,(H,17,21,23)/t12-,16-/m1/s1
InChIKeyBOSJTPQBXCLSOT-MLGOLLRUSA-N
XLogP-0.07
TPSA121.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione
CID 110146533
1-[(3R,4R)-4-hydroxy-4-methyl-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione
CID 110146830
N-[(2S)-6-amino-1-[(3R,4R)-3-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methylpiperidin-1-yl]-1-oxohexan-2-yl]acetamide
CID 110154493
(5-ethyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone
CID 53001425
1-[(3R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione
CID 110146679
[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 110114565
1-[(3R,4R)-3-hydroxy-3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrimidine-2,4-dione
CID 110146643
(5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 125001962
(4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 80707358
(5-ethyl-1,2-oxazol-3-yl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550158
[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 124991930
1-[(3R,4S)-9-[3-(aminomethyl)benzoyl]-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrimidine-2,4-dione;hydrochloride
CID 171687429

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione (CID 110146942) is 1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione is CCc1cc(C(=O)N2CC[C@@](C)(O)[C@H](n3ccc(=O)[nH]c3=O)C2)no1.
What is the InChIKey of 1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione?
The InChIKey is BOSJTPQBXCLSOT-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-3-10-8-11(18-25-10)14(22)19-7-5-16(2,24)12(9-19)20-6-4-13(21)17-15(20)23/h4,6,8,12,24H,3,5,7,9H2,1-2H3,(H,17,21,23)/t12-,16-/m1/s1.
What are the key properties of 1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione?
1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione has a molecular weight of 348.36 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-1-(5-ethyl-1,2-oxazole-3-carbonyl)-4-hydroxy-4-methylpiperidin-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 110146942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).