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

C15H16ClN3O3 — CID 113181859

IUPAC2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1cc(C)on1
InChIInChI=1S/C15H16ClN3O3/c1-9-7-14(18-22-9)19(11(3)20)8-15(21)17-13-6-4-5-12(16)10(13)2/h4-7H,8H2,1-3H3,(H,17,21)
InChIKeyFQDKGZGTPBMCRE-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.94
Rot. Bonds4

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

2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 113181859) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID113181859
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1cc(C)on1
InChIInChI=1S/C15H16ClN3O3/c1-9-7-14(18-22-9)19(11(3)20)8-15(21)17-13-6-4-5-12(16)10(13)2/h4-7H,8H2,1-3H3,(H,17,21)
InChIKeyFQDKGZGTPBMCRE-UHFFFAOYSA-N
XLogP2.94
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.94
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-chlorophenyl)acetamide
CID 113181857
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 113181841
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113181847
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113171767
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113181772
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113168353
2-(N-acetyl-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113167376
2-(N-acetyl-3-bromoanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113177953
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 113181870
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113181855
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113178487
2-(N-acetyl-2-fluoroanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113170822

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide (CID 113181859) is 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(Cl)c1C)c1cc(C)on1.
What is the InChIKey of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is FQDKGZGTPBMCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-9-7-14(18-22-9)19(11(3)20)8-15(21)17-13-6-4-5-12(16)10(13)2/h4-7H,8H2,1-3H3,(H,17,21).
What are the key properties of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide?
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 321.76 g/mol, XLogP of 2.94, 4 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-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 113181859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).