2-chloro-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]acetamide

C12H11ClN2O2 — CID 91871887

IUPAC2-chloro-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCc1ccccc1-c1cc(NC(=O)CCl)on1
InChIInChI=1S/C12H11ClN2O2/c1-8-4-2-3-5-9(8)10-6-12(17-15-10)14-11(16)7-13/h2-6H,7H2,1H3,(H,14,16)
InChIKeySYHHPEYFXFNCCN-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.83
Rot. Bonds3

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

2-chloro-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 91871887) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]acetamide
PubChem CID91871887
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-chloro-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]acetamide
SMILESCc1ccccc1-c1cc(NC(=O)CCl)on1
InChIInChI=1S/C12H11ClN2O2/c1-8-4-2-3-5-9(8)10-6-12(17-15-10)14-11(16)7-13/h2-6H,7H2,1H3,(H,14,16)
InChIKeySYHHPEYFXFNCCN-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-chloro-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]acetamide (CID 91871887) is 2-chloro-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]acetamide is Cc1ccccc1-c1cc(NC(=O)CCl)on1.
What is the InChIKey of 2-chloro-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]acetamide?
The InChIKey is SYHHPEYFXFNCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-4-2-3-5-9(8)10-6-12(17-15-10)14-11(16)7-13/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of 2-chloro-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]acetamide?
2-chloro-N-[3-(2-methylphenyl)-1,2-oxazol-5-yl]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-[3-(2-methylphenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 91871887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).