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

C17H22N2O2 — CID 110607424

IUPACN-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc(CC(C)(C)NC(=O)Cc2cc(C)on2)cc1
InChIInChI=1S/C17H22N2O2/c1-12-5-7-14(8-6-12)11-17(3,4)18-16(20)10-15-9-13(2)21-19-15/h5-9H,10-11H2,1-4H3,(H,18,20)
InChIKeyKIJAZVLHVSNRTP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.97
Rot. Bonds5

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

N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 110607424) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID110607424
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1ccc(CC(C)(C)NC(=O)Cc2cc(C)on2)cc1
InChIInChI=1S/C17H22N2O2/c1-12-5-7-14(8-6-12)11-17(3,4)18-16(20)10-15-9-13(2)21-19-15/h5-9H,10-11H2,1-4H3,(H,18,20)
InChIKeyKIJAZVLHVSNRTP-UHFFFAOYSA-N
XLogP2.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 110607424) is N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1ccc(CC(C)(C)NC(=O)Cc2cc(C)on2)cc1.
What is the InChIKey of N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is KIJAZVLHVSNRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-5-7-14(8-6-12)11-17(3,4)18-16(20)10-15-9-13(2)21-19-15/h5-9H,10-11H2,1-4H3,(H,18,20).
What are the key properties of N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-methylphenyl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 110607424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).