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

C11H10N2O2 — CID 644844

IUPAC5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C11H10N2O2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,14)
InChIKeyCFEABDMXHARUJU-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.75
Rot. Bonds2

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

5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 644844) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID644844
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C11H10N2O2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,14)
InChIKeyCFEABDMXHARUJU-UHFFFAOYSA-N
XLogP1.75
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.75
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-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 644844) is 5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(N)=O.
What is the InChIKey of 5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is CFEABDMXHARUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,14).
What are the key properties of 5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 202.21 g/mol, XLogP of 1.75, 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-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 644844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).