2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide

C17H21N3O3 — CID 113181847

IUPAC2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C(C)C)c1cc(C)on1
InChIInChI=1S/C17H21N3O3/c1-11(2)14-7-5-6-8-15(14)18-17(22)10-20(13(4)21)16-9-12(3)23-19-16/h5-9,11H,10H2,1-4H3,(H,18,22)
InChIKeyPARMTMBMIGQHNE-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.10
Rot. Bonds5

About 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide

2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 113181847) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID113181847
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C(C)C)c1cc(C)on1
InChIInChI=1S/C17H21N3O3/c1-11(2)14-7-5-6-8-15(14)18-17(22)10-20(13(4)21)16-9-12(3)23-19-16/h5-9,11H,10H2,1-4H3,(H,18,22)
InChIKeyPARMTMBMIGQHNE-UHFFFAOYSA-N
XLogP3.10
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113181859
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 113181841
2-(N-acetyl-2-methylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113167364
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113181855
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chlorophenyl)acetamide
CID 113181857
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113172577
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 113181870
2-(N-acetyl-2,4-difluoroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113179021
2-(N-acetyl-2,4-dichloroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113179621
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113181908
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113181772
ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate
CID 113181912

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide (CID 113181847) is 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1C(C)C)c1cc(C)on1.
What is the InChIKey of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is PARMTMBMIGQHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(2)14-7-5-6-8-15(14)18-17(22)10-20(13(4)21)16-9-12(3)23-19-16/h5-9,11H,10H2,1-4H3,(H,18,22).
What are the key properties of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide?
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113181847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).