2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide

C17H14ClN3O3 — CID 27211491

IUPAC2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESCOc1ccc(Cl)cc1-c1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C17H14ClN3O3/c1-23-14-8-7-11(18)9-13(14)17-20-15(21-24-17)10-16(22)19-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyQEUVJVKGUXNRPT-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.58
Rot. Bonds5

About 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide

2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide (PubChem CID 27211491) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
PubChem CID27211491
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
SMILESCOc1ccc(Cl)cc1-c1nc(CC(=O)Nc2ccccc2)no1
InChIInChI=1S/C17H14ClN3O3/c1-23-14-8-7-11(18)9-13(14)17-20-15(21-24-17)10-16(22)19-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,22)
InChIKeyQEUVJVKGUXNRPT-UHFFFAOYSA-N
XLogP3.58
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211449
N-[(E)-1-anilino-3-(methylamino)-1-oxobut-2-en-2-yl]-4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3,3-dimethylbutanamide
CID 144905878
2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide
CID 27211427
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110420645
5-chloro-N-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenoxyaniline
CID 166392158
N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120838621
2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 99632717
3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
2-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 42788974
3-[(5-chloro-2-methoxyphenyl)methylsulfinyl]-N-phenylpropanamide
CID 56808114
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
N-(4-chlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848482

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide (CID 27211491) is 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide is COc1ccc(Cl)cc1-c1nc(CC(=O)Nc2ccccc2)no1.
What is the InChIKey of 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
The InChIKey is QEUVJVKGUXNRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-23-14-8-7-11(18)9-13(14)17-20-15(21-24-17)10-16(22)19-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide?
2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide has a molecular weight of 343.77 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide is sourced from PubChem (CID 27211491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).