N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide

C16H18Cl2N2O3 — CID 110190112

IUPACN-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1c(NC(=O)COc2ccc(Cl)cc2Cl)noc1C(C)(C)C
InChIInChI=1S/C16H18Cl2N2O3/c1-9-14(16(2,3)4)23-20-15(9)19-13(21)8-22-12-6-5-10(17)7-11(12)18/h5-7H,8H2,1-4H3,(H,19,20,21)
InChIKeyPZFSZPDLZQBFJT-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.60
Rot. Bonds4

About N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide

N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 110190112) has the molecular formula C16H18Cl2N2O3 and a molecular weight of 357.24 g/mol. Its IUPAC name is N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide
PubChem CID110190112
Molecular FormulaC16H18Cl2N2O3
Molecular Weight357.24 g/mol
Exact Mass356.07
IUPAC NameN-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1c(NC(=O)COc2ccc(Cl)cc2Cl)noc1C(C)(C)C
InChIInChI=1S/C16H18Cl2N2O3/c1-9-14(16(2,3)4)23-20-15(9)19-13(21)8-22-12-6-5-10(17)7-11(12)18/h5-7H,8H2,1-4H3,(H,19,20,21)
InChIKeyPZFSZPDLZQBFJT-UHFFFAOYSA-N
XLogP4.60
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-pyridin-2-ylacetamide
CID 792334
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 46943243
2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
CID 3306540
methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylbenzoate
CID 2208364
2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 2827268
2-(2,4-dichlorophenoxy)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 978969
2-(2,4-dichlorophenoxy)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)acetamide
CID 16953492
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 2510840
N-(tert-butylcarbamoyl)-2-(2,4-dichlorophenoxy)acetamide
CID 2640450
2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
CID 113023590
2-(2,4-dichlorophenoxy)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 60606511

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide (CID 110190112) is N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide is Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)noc1C(C)(C)C.
What is the InChIKey of N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is PZFSZPDLZQBFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O3/c1-9-14(16(2,3)4)23-20-15(9)19-13(21)8-22-12-6-5-10(17)7-11(12)18/h5-7H,8H2,1-4H3,(H,19,20,21).
What are the key properties of N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide?
N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 357.24 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 110190112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).