N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide

C18H16ClN3O3 — CID 20897224

IUPACN-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2noc(-c3ccc(Cl)cc3)n2)cc1C
InChIInChI=1S/C18H16ClN3O3/c1-11-3-8-15(9-12(11)2)24-10-16(23)20-18-21-17(25-22-18)13-4-6-14(19)7-5-13/h3-9H,10H2,1-2H3,(H,20,22,23)
InChIKeyHVIKFCMXQTUBLV-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.02
Rot. Bonds5

About N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide

N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 20897224) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID20897224
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2noc(-c3ccc(Cl)cc3)n2)cc1C
InChIInChI=1S/C18H16ClN3O3/c1-11-3-8-15(9-12(11)2)24-10-16(23)20-18-21-17(25-22-18)13-4-6-14(19)7-5-13/h3-9H,10H2,1-2H3,(H,20,22,23)
InChIKeyHVIKFCMXQTUBLV-UHFFFAOYSA-N
XLogP4.02
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 39868087
N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide
CID 39867782
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 39866946
N-(5-chloro-2-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237923
N-(3,4-dimethylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237785
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
CID 20897201
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2554397
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032423
N-(3-chloro-4-methylphenyl)-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237929
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 50754145

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide (CID 20897224) is N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2noc(-c3ccc(Cl)cc3)n2)cc1C.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is HVIKFCMXQTUBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-11-3-8-15(9-12(11)2)24-10-16(23)20-18-21-17(25-22-18)13-4-6-14(19)7-5-13/h3-9H,10H2,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide?
N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 357.80 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 20897224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).