2-phenyl-1,3-oxazole-4,5-dicarboxamide

C11H9N3O3 — CID 3039163

IUPAC2-phenyl-1,3-oxazole-4,5-dicarboxamide
SMILESNC(=O)c1nc(-c2ccccc2)oc1C(N)=O
InChIInChI=1S/C11H9N3O3/c12-9(15)7-8(10(13)16)17-11(14-7)6-4-2-1-3-5-6/h1-5H,(H2,12,15)(H2,13,16)
InChIKeyOVOKOMJWMJIADQ-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.54
Rot. Bonds3

About 2-phenyl-1,3-oxazole-4,5-dicarboxamide

2-phenyl-1,3-oxazole-4,5-dicarboxamide (PubChem CID 3039163) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-phenyl-1,3-oxazole-4,5-dicarboxamide.

Molecular Properties

Compound Name2-phenyl-1,3-oxazole-4,5-dicarboxamide
PubChem CID3039163
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name2-phenyl-1,3-oxazole-4,5-dicarboxamide
SMILESNC(=O)c1nc(-c2ccccc2)oc1C(N)=O
InChIInChI=1S/C11H9N3O3/c12-9(15)7-8(10(13)16)17-11(14-7)6-4-2-1-3-5-6/h1-5H,(H2,12,15)(H2,13,16)
InChIKeyOVOKOMJWMJIADQ-UHFFFAOYSA-N
XLogP0.54
TPSA112.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-oxazole-4,5-dicarboxamide?
The IUPAC name of 2-phenyl-1,3-oxazole-4,5-dicarboxamide (CID 3039163) is 2-phenyl-1,3-oxazole-4,5-dicarboxamide.
What is the SMILES notation for 2-phenyl-1,3-oxazole-4,5-dicarboxamide?
The canonical SMILES for 2-phenyl-1,3-oxazole-4,5-dicarboxamide is NC(=O)c1nc(-c2ccccc2)oc1C(N)=O.
What is the InChIKey of 2-phenyl-1,3-oxazole-4,5-dicarboxamide?
The InChIKey is OVOKOMJWMJIADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c12-9(15)7-8(10(13)16)17-11(14-7)6-4-2-1-3-5-6/h1-5H,(H2,12,15)(H2,13,16).
What are the key properties of 2-phenyl-1,3-oxazole-4,5-dicarboxamide?
2-phenyl-1,3-oxazole-4,5-dicarboxamide has a molecular weight of 231.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-oxazole-4,5-dicarboxamide is sourced from PubChem (CID 3039163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).