N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C11H10ClN3O2 — CID 21358511

IUPACN-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2noc(CCl)n2)c1
InChIInChI=1S/C11H10ClN3O2/c1-7(16)13-9-4-2-3-8(5-9)11-14-10(6-12)17-15-11/h2-5H,6H2,1H3,(H,13,16)
InChIKeyGZUQAPKMUFEFHQ-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.43
Rot. Bonds3

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

N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 21358511) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID21358511
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC NameN-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2noc(CCl)n2)c1
InChIInChI=1S/C11H10ClN3O2/c1-7(16)13-9-4-2-3-8(5-9)11-14-10(6-12)17-15-11/h2-5H,6H2,1H3,(H,13,16)
InChIKeyGZUQAPKMUFEFHQ-UHFFFAOYSA-N
XLogP2.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 54073306
2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 53041723
1-(3-methylphenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6461873
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166328689
N-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetamide
CID 17427274
1-(3-chlorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6462207
4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
CID 25219267
N-(3-acetamidophenyl)-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934264

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 21358511) is N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2noc(CCl)n2)c1.
What is the InChIKey of N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is GZUQAPKMUFEFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-7(16)13-9-4-2-3-8(5-9)11-14-10(6-12)17-15-11/h2-5H,6H2,1H3,(H,13,16).
What are the key properties of N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 251.67 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 21358511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).