N-(4-methylphenyl)-1,2-oxazole-5-carboxamide

C11H10N2O2 — CID 40805346

IUPACN-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccno2)cc1
InChIInChI=1S/C11H10N2O2/c1-8-2-4-9(5-3-8)13-11(14)10-6-7-12-15-10/h2-7H,1H3,(H,13,14)
InChIKeyPJYTZZOAOBOTFG-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.24
Rot. Bonds2

About N-(4-methylphenyl)-1,2-oxazole-5-carboxamide

N-(4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 40805346) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-(4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID40805346
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC NameN-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccno2)cc1
InChIInChI=1S/C11H10N2O2/c1-8-2-4-9(5-3-8)13-11(14)10-6-7-12-15-10/h2-7H,1H3,(H,13,14)
InChIKeyPJYTZZOAOBOTFG-UHFFFAOYSA-N
XLogP2.24
TPSA55.13 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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 40805346) is N-(4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1,2-oxazole-5-carboxamide is Cc1ccc(NC(=O)c2ccno2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is PJYTZZOAOBOTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-2-4-9(5-3-8)13-11(14)10-6-7-12-15-10/h2-7H,1H3,(H,13,14).
What are the key properties of N-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
N-(4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 202.21 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 40805346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).