5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

C11H10N2O2 — CID 2739751

IUPAC5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(N)=O)cc1
InChIInChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)10-9(11(12)14)13-6-15-10/h2-6H,1H3,(H2,12,14)
InChIKeyCPCVNMCLTMZRIZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.75
Rot. Bonds2

About 5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 2739751) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID2739751
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(N)=O)cc1
InChIInChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)10-9(11(12)14)13-6-15-10/h2-6H,1H3,(H2,12,14)
InChIKeyCPCVNMCLTMZRIZ-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-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 2739751) is 5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2ocnc2C(N)=O)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CPCVNMCLTMZRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)10-9(11(12)14)13-6-15-10/h2-6H,1H3,(H2,12,14).
What are the key properties of 5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
5-(4-methylphenyl)-1,3-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-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2739751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).