5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide

C11H12N2O2 — CID 53016965

IUPAC5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(N)=O)CC(c2ccccc2)=NO1
InChIInChI=1S/C11H12N2O2/c1-11(10(12)14)7-9(13-15-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,14)
InChIKeyVIPDGNLQAAGPJV-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.05
Rot. Bonds2

About 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide

5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 53016965) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
PubChem CID53016965
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(N)=O)CC(c2ccccc2)=NO1
InChIInChI=1S/C11H12N2O2/c1-11(10(12)14)7-9(13-15-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,14)
InChIKeyVIPDGNLQAAGPJV-UHFFFAOYSA-N
XLogP1.05
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (CID 53016965) is 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is CC1(C(N)=O)CC(c2ccccc2)=NO1.
What is the InChIKey of 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is VIPDGNLQAAGPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-11(10(12)14)7-9(13-15-11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,14).
What are the key properties of 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 53016965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).