N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide

C24H28ClN3O4 — CID 154979294

IUPACN-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide
SMILESCC1=CC(OCC(=O)NC2(C)CC(C)(c3nc(COc4ccc(Cl)cc4)no3)C2)=CCC1
InChIInChI=1S/C24H28ClN3O4/c1-16-5-4-6-19(11-16)31-13-21(29)27-24(3)14-23(2,15-24)22-26-20(28-32-22)12-30-18-9-7-17(25)8-10-18/h6-11H,4-5,12-15H2,1-3H3,(H,27,29)
InChIKeyLJUAFPWWSWKMSL-UHFFFAOYSA-N
MW457.96 g/mol
LogP4.87
Rot. Bonds8

About N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide

N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide (PubChem CID 154979294) has the molecular formula C24H28ClN3O4 and a molecular weight of 457.96 g/mol. Its IUPAC name is N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide
PubChem CID154979294
Molecular FormulaC24H28ClN3O4
Molecular Weight457.96 g/mol
Exact Mass457.18
IUPAC NameN-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide
SMILESCC1=CC(OCC(=O)NC2(C)CC(C)(c3nc(COc4ccc(Cl)cc4)no3)C2)=CCC1
InChIInChI=1S/C24H28ClN3O4/c1-16-5-4-6-19(11-16)31-13-21(29)27-24(3)14-23(2,15-24)22-26-20(28-32-22)12-30-18-9-7-17(25)8-10-18/h6-11H,4-5,12-15H2,1-3H3,(H,27,29)
InChIKeyLJUAFPWWSWKMSL-UHFFFAOYSA-N
XLogP4.87
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(4-methyl-2-methyliminopent-3-enoxy)acetamide
CID 154979353
N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide
CID 162084237
N-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide
CID 138609631
3-[(4-chlorophenoxy)methyl]-5-propyl-1,2,4-oxadiazole
CID 63861167
2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 154979227
N-[3-[3-[(6-cyclopropyl-3-pyridinyl)oxymethyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide
CID 154979347
2-(4-chloro-3-fluorophenoxy)-N-[1,3-dimethyl-3-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]acetamide
CID 154979264
N-tert-butyl-1-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanesulfonamide
CID 167953701
2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(5-cyano-3-pyridinyl)oxymethyl]-1,3,4-oxadiazol-2-yl]-1,3-dimethylcyclobutyl]acetamide
CID 154979280
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
3-[(4-fluorophenoxy)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120842825
N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine
CID 10758928

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
The IUPAC name of N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide (CID 154979294) is N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide.
What is the SMILES notation for N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
The canonical SMILES for N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide is CC1=CC(OCC(=O)NC2(C)CC(C)(c3nc(COc4ccc(Cl)cc4)no3)C2)=CCC1.
What is the InChIKey of N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
The InChIKey is LJUAFPWWSWKMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4/c1-16-5-4-6-19(11-16)31-13-21(29)27-24(3)14-23(2,15-24)22-26-20(28-32-22)12-30-18-9-7-17(25)8-10-18/h6-11H,4-5,12-15H2,1-3H3,(H,27,29).
What are the key properties of N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide?
N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide has a molecular weight of 457.96 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1,3-dimethylcyclobutyl]-2-(5-methylcyclohexa-1,5-dien-1-yl)oxyacetamide is sourced from PubChem (CID 154979294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).