N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide

C13H14N2O2 — CID 889538

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C13H14N2O2/c1-9-3-5-11(6-4-9)8-13(16)14-12-7-10(2)17-15-12/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyDTKOFJBVANEEOM-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.47
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide (PubChem CID 889538) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide
PubChem CID889538
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C13H14N2O2/c1-9-3-5-11(6-4-9)8-13(16)14-12-7-10(2)17-15-12/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyDTKOFJBVANEEOM-UHFFFAOYSA-N
XLogP2.47
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide (CID 889538) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is DTKOFJBVANEEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-3-5-11(6-4-9)8-13(16)14-12-7-10(2)17-15-12/h3-7H,8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 230.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 889538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).