N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C20H18ClN3O3 — CID 86865948

IUPACN-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2coc(-c3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C20H18ClN3O3/c1-13-7-8-17(16(21)9-13)24-19(26)11-22-18(25)10-15-12-27-20(23-15)14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,22,25)(H,24,26)
InChIKeyPXJJNBIJDBMWAP-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.60
Rot. Bonds6

About N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 86865948) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID86865948
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2coc(-c3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C20H18ClN3O3/c1-13-7-8-17(16(21)9-13)24-19(26)11-22-18(25)10-15-12-27-20(23-15)14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,22,25)(H,24,26)
InChIKeyPXJJNBIJDBMWAP-UHFFFAOYSA-N
XLogP3.60
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-iodophenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55677449
N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427770
N-(2-chloro-4-methylphenyl)-3-[[N-ethyl-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]carbamimidoyl]amino]propanamide
CID 111552268
N-(2-methoxy-5-methylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34803649
N-(2,3-dimethylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39428151
N-(5-fluoro-2-methylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34803562
N-(4-bromo-2-methylphenyl)-2-[[2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetyl]amino]acetamide
CID 55770865
N-(2-acetylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34805925
2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
CID 39436445
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetohydrazide
CID 35819755
methyl 2-chloro-5-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 38239776
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 86865948) is N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is Cc1ccc(NC(=O)CNC(=O)Cc2coc(-c3ccccc3)n2)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is PXJJNBIJDBMWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-13-7-8-17(16(21)9-13)24-19(26)11-22-18(25)10-15-12-27-20(23-15)14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,22,25)(H,24,26).
What are the key properties of N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 383.84 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 86865948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).