2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide

C12H12ClN3O2 — CID 146094614

IUPAC2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCc1ccccc1-c1nc(CNC(=O)CCl)no1
InChIInChI=1S/C12H12ClN3O2/c1-8-4-2-3-5-9(8)12-15-10(16-18-12)7-14-11(17)6-13/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyZWXLBZPZXMQZSB-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.90
Rot. Bonds4

About 2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide

2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (PubChem CID 146094614) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
PubChem CID146094614
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
SMILESCc1ccccc1-c1nc(CNC(=O)CCl)no1
InChIInChI=1S/C12H12ClN3O2/c1-8-4-2-3-5-9(8)12-15-10(16-18-12)7-14-11(17)6-13/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyZWXLBZPZXMQZSB-UHFFFAOYSA-N
XLogP1.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.90
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

3-amino-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide;hydrochloride
CID 120873237
cis-(1S,3R)-2,2-dimethyl-3-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122066375
2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211449
N-methyl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 25220757
2-(2-methylphenyl)-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 53098318
N-butan-2-yl-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 4998664
N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 53098206
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46971254
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234
N-benzyl-2-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)acetamide
CID 75494074
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 50755617

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide (CID 146094614) is 2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is Cc1ccccc1-c1nc(CNC(=O)CCl)no1.
What is the InChIKey of 2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
The InChIKey is ZWXLBZPZXMQZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-8-4-2-3-5-9(8)12-15-10(16-18-12)7-14-11(17)6-13/h2-5H,6-7H2,1H3,(H,14,17).
What are the key properties of 2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide?
2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide has a molecular weight of 265.70 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide is sourced from PubChem (CID 146094614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).