2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide

C9H9N5O5 — CID 154795174

IUPAC2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESO=C(Cc1c(O)nc[nH]c1=O)NCc1noc(=O)[nH]1
InChIInChI=1S/C9H9N5O5/c15-6(10-2-5-13-9(18)19-14-5)1-4-7(16)11-3-12-8(4)17/h3H,1-2H2,(H,10,15)(H,13,14,18)(H2,11,12,16,17)
InChIKeyZLGHGXRBFCUIMH-UHFFFAOYSA-N
MW267.20 g/mol
LogP-1.99
Rot. Bonds4

About 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide

2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 154795174) has the molecular formula C9H9N5O5 and a molecular weight of 267.20 g/mol. Its IUPAC name is 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID154795174
Molecular FormulaC9H9N5O5
Molecular Weight267.20 g/mol
Exact Mass267.06
IUPAC Name2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESO=C(Cc1c(O)nc[nH]c1=O)NCc1noc(=O)[nH]1
InChIInChI=1S/C9H9N5O5/c15-6(10-2-5-13-9(18)19-14-5)1-4-7(16)11-3-12-8(4)17/h3H,1-2H2,(H,10,15)(H,13,14,18)(H2,11,12,16,17)
InChIKeyZLGHGXRBFCUIMH-UHFFFAOYSA-N
XLogP-1.99
TPSA153.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 154795174) is 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide is O=C(Cc1c(O)nc[nH]c1=O)NCc1noc(=O)[nH]1.
What is the InChIKey of 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is ZLGHGXRBFCUIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O5/c15-6(10-2-5-13-9(18)19-14-5)1-4-7(16)11-3-12-8(4)17/h3H,1-2H2,(H,10,15)(H,13,14,18)(H2,11,12,16,17).
What are the key properties of 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide?
2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 267.20 g/mol, XLogP of -1.99, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 154795174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).