oxamide;phenol

C8H10N2O3 — CID 21277500

IUPACoxamide;phenol
SMILESNC(=O)C(N)=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H4N2O2/c7-6-4-2-1-3-5-6;3-1(5)2(4)6/h1-5,7H;(H2,3,5)(H2,4,6)
InChIKeyOYRNXWHDNCHYOP-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.65
Rot. Bonds

About oxamide;phenol

oxamide;phenol (PubChem CID 21277500) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is oxamide;phenol.

Molecular Properties

Compound Nameoxamide;phenol
PubChem CID21277500
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Nameoxamide;phenol
SMILESNC(=O)C(N)=O.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H4N2O2/c7-6-4-2-1-3-5-6;3-1(5)2(4)6/h1-5,7H;(H2,3,5)(H2,4,6)
InChIKeyOYRNXWHDNCHYOP-UHFFFAOYSA-N
XLogP-0.65
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxamide;phenol?
The IUPAC name of oxamide;phenol (CID 21277500) is oxamide;phenol.
What is the SMILES notation for oxamide;phenol?
The canonical SMILES for oxamide;phenol is NC(=O)C(N)=O.Oc1ccccc1.
What is the InChIKey of oxamide;phenol?
The InChIKey is OYRNXWHDNCHYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C2H4N2O2/c7-6-4-2-1-3-5-6;3-1(5)2(4)6/h1-5,7H;(H2,3,5)(H2,4,6).
What are the key properties of oxamide;phenol?
oxamide;phenol has a molecular weight of 182.18 g/mol, XLogP of -0.65, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxamide;phenol is sourced from PubChem (CID 21277500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).