N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide

C14H14N4O5 — CID 42580706

IUPACN'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide
SMILESO=C(NC[C@H](O)c1ccccc1)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H14N4O5/c19-10(8-4-2-1-3-5-8)7-15-12(21)13(22)17-9-6-16-14(23)18-11(9)20/h1-6,10,19H,7H2,(H,15,21)(H,17,22)(H2,16,18,20,23)/t10-/m0/s1
InChIKeyQWYDTXRIWQJPHK-JTQLQIEISA-N
MW318.29 g/mol
LogP-1.15
Rot. Bonds4

About N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide

N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide (PubChem CID 42580706) has the molecular formula C14H14N4O5 and a molecular weight of 318.29 g/mol. Its IUPAC name is N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide
PubChem CID42580706
Molecular FormulaC14H14N4O5
Molecular Weight318.29 g/mol
Exact Mass318.10
IUPAC NameN'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide
SMILESO=C(NC[C@H](O)c1ccccc1)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H14N4O5/c19-10(8-4-2-1-3-5-8)7-15-12(21)13(22)17-9-6-16-14(23)18-11(9)20/h1-6,10,19H,7H2,(H,15,21)(H,17,22)(H2,16,18,20,23)/t10-/m0/s1
InChIKeyQWYDTXRIWQJPHK-JTQLQIEISA-N
XLogP-1.15
TPSA144.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 5-1.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide with MolForge

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Related Compounds

N'-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)oxamide
CID 2883346
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[2-(pyrrolidine-1-carbonyl)phenyl]oxamide
CID 41010376
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-phenylbenzamide
CID 810233
N'-(2-fluorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534882
(2R)-2-hydroxy-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenylacetamide
CID 102071059
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
5-[[(2R)-2-hydroxypropyl]amino]-1H-pyrimidine-2,4-dione
CID 7373413
N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 95368316
N'-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 56765505
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide
CID 42535377
N-(2-hydroxy-2-phenylethyl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 43501209

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide?
The IUPAC name of N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide (CID 42580706) is N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide.
What is the SMILES notation for N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide?
The canonical SMILES for N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide is O=C(NC[C@H](O)c1ccccc1)C(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide?
The InChIKey is QWYDTXRIWQJPHK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N4O5/c19-10(8-4-2-1-3-5-8)7-15-12(21)13(22)17-9-6-16-14(23)18-11(9)20/h1-6,10,19H,7H2,(H,15,21)(H,17,22)(H2,16,18,20,23)/t10-/m0/s1.
What are the key properties of N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide?
N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide has a molecular weight of 318.29 g/mol, XLogP of -1.15, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]oxamide is sourced from PubChem (CID 42580706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).