N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

C21H20ClN3O3 — CID 38789403

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O3/c1-14-18(24-21(28-14)15-6-4-3-5-7-15)12-20(27)25(2)13-19(26)23-17-10-8-16(22)9-11-17/h3-11H,12-13H2,1-2H3,(H,23,26)
InChIKeyVGSCNGJPSCZOED-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.94
Rot. Bonds6

About N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 38789403) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID38789403
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN3O3/c1-14-18(24-21(28-14)15-6-4-3-5-7-15)12-20(27)25(2)13-19(26)23-17-10-8-16(22)9-11-17/h3-11H,12-13H2,1-2H3,(H,23,26)
InChIKeyVGSCNGJPSCZOED-UHFFFAOYSA-N
XLogP3.94
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 24627458
4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16620994
N-(3-chloro-4-fluorophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110650112
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726407
N-ethyl-2-[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 52663048
N-(4-methylphenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110649606
N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16614455
2-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 110407171
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16620648
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110420645
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
2-hydroxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoic acid
CID 22087427

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 38789403) is N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)N(C)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is VGSCNGJPSCZOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-14-18(24-21(28-14)15-6-4-3-5-7-15)12-20(27)25(2)13-19(26)23-17-10-8-16(22)9-11-17/h3-11H,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 397.86 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 38789403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).