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

C12H11ClN2O2 — CID 71371451

IUPAC2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)CCl)cc2)on1
InChIInChI=1S/C12H11ClN2O2/c1-8-6-11(17-15-8)9-2-4-10(5-3-9)14-12(16)7-13/h2-6H,7H2,1H3,(H,14,16)
InChIKeyMAWTVWAEGRJYBS-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.83
Rot. Bonds3

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

2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide (PubChem CID 71371451) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide
PubChem CID71371451
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)CCl)cc2)on1
InChIInChI=1S/C12H11ClN2O2/c1-8-6-11(17-15-8)9-2-4-10(5-3-9)14-12(16)7-13/h2-6H,7H2,1H3,(H,14,16)
InChIKeyMAWTVWAEGRJYBS-UHFFFAOYSA-N
XLogP2.83
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878475
N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059894
N-(3,5-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059823
methyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 16878495
N-(4-acetamidophenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878906
2-chloro-N-[3-[3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
CID 174462735
N-[4-[[2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 53094837
ethyl 4-[3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanoylamino]benzoate
CID 22583319
N-(4-ethoxyphenyl)-2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878488
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 16878662
2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide
CID 166404220
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 86022306

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide (CID 71371451) is 2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide is Cc1cc(-c2ccc(NC(=O)CCl)cc2)on1.
What is the InChIKey of 2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide?
The InChIKey is MAWTVWAEGRJYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-6-11(17-15-8)9-2-4-10(5-3-9)14-12(16)7-13/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of 2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide?
2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide has a molecular weight of 250.69 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 71371451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).