N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

C20H19ClN2O2 — CID 16621749

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1cc(C)c(NC(=O)Cc2nc(-c3ccccc3)oc2C)c(Cl)c1
InChIInChI=1S/C20H19ClN2O2/c1-12-9-13(2)19(16(21)10-12)23-18(24)11-17-14(3)25-20(22-17)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeyWTKHEQGRZSLFIX-UHFFFAOYSA-N
MW354.84 g/mol
LogP5.10
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 16621749) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID16621749
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1cc(C)c(NC(=O)Cc2nc(-c3ccccc3)oc2C)c(Cl)c1
InChIInChI=1S/C20H19ClN2O2/c1-12-9-13(2)19(16(21)10-12)23-18(24)11-17-14(3)25-20(22-17)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeyWTKHEQGRZSLFIX-UHFFFAOYSA-N
XLogP5.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-naphthalen-1-ylacetamide
CID 16614398
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55952063
2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 22087427
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55522198
N-(4-methyl-3-nitrophenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 31869311
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 55750393
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16620648
diethyl 5-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 46563552
(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119238230
N-[2-(methylamino)-2-oxoethyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 32562086

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 16621749) is N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is Cc1cc(C)c(NC(=O)Cc2nc(-c3ccccc3)oc2C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is WTKHEQGRZSLFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-12-9-13(2)19(16(21)10-12)23-18(24)11-17-14(3)25-20(22-17)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,23,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 354.84 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 16621749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).