N-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide

C22H20ClN3O4 — CID 138609631

IUPACN-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC23CC2C3c2nc(COc3ccc(Cl)cc3)no2)c1
InChIInChI=1S/C22H20ClN3O4/c1-13-3-2-4-16(9-13)29-12-19(27)25-22-10-17(22)20(22)21-24-18(26-30-21)11-28-15-7-5-14(23)6-8-15/h2-9,17,20H,10-12H2,1H3,(H,25,27)
InChIKeyBAEZFXCSUPOMDW-UHFFFAOYSA-N
MW425.87 g/mol
LogP3.66
Rot. Bonds8

About N-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide

N-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide (PubChem CID 138609631) has the molecular formula C22H20ClN3O4 and a molecular weight of 425.87 g/mol. Its IUPAC name is N-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide
PubChem CID138609631
Molecular FormulaC22H20ClN3O4
Molecular Weight425.87 g/mol
Exact Mass425.11
IUPAC NameN-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC23CC2C3c2nc(COc3ccc(Cl)cc3)no2)c1
InChIInChI=1S/C22H20ClN3O4/c1-13-3-2-4-16(9-13)29-12-19(27)25-22-10-17(22)20(22)21-24-18(26-30-21)11-28-15-7-5-14(23)6-8-15/h2-9,17,20H,10-12H2,1H3,(H,25,27)
InChIKeyBAEZFXCSUPOMDW-UHFFFAOYSA-N
XLogP3.66
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 53.66
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-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide
CID 162084237
2,2-dimethyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 64837289
N'-[2-(4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)acetohydrazide
CID 19167991
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-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8751664
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
5-(4-chlorophenyl)-N'-[2-(3-methylphenoxy)acetyl]furan-2-carbohydrazide
CID 24502806
2-(4-chlorophenyl)-N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4937121
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide (CID 138609631) is N-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NC23CC2C3c2nc(COc3ccc(Cl)cc3)no2)c1.
What is the InChIKey of N-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is BAEZFXCSUPOMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4/c1-13-3-2-4-16(9-13)29-12-19(27)25-22-10-17(22)20(22)21-24-18(26-30-21)11-28-15-7-5-14(23)6-8-15/h2-9,17,20H,10-12H2,1H3,(H,25,27).
What are the key properties of N-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide?
N-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 425.87 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-bicyclo[1.1.0]butanyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 138609631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).