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

C11H9ClN2O2 — CID 166414612

IUPAC2-chloro-N-[3-(1,2-oxazol-3-yl)phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(-c2ccon2)c1
InChIInChI=1S/C11H9ClN2O2/c12-7-11(15)13-9-3-1-2-8(6-9)10-4-5-16-14-10/h1-6H,7H2,(H,13,15)
InChIKeyBYTSTGUFSITKSB-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.52
Rot. Bonds3

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

2-chloro-N-[3-(1,2-oxazol-3-yl)phenyl]acetamide (PubChem CID 166414612) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-chloro-N-[3-(1,2-oxazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(1,2-oxazol-3-yl)phenyl]acetamide
PubChem CID166414612
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-chloro-N-[3-(1,2-oxazol-3-yl)phenyl]acetamide
SMILESO=C(CCl)Nc1cccc(-c2ccon2)c1
InChIInChI=1S/C11H9ClN2O2/c12-7-11(15)13-9-3-1-2-8(6-9)10-4-5-16-14-10/h1-6H,7H2,(H,13,15)
InChIKeyBYTSTGUFSITKSB-UHFFFAOYSA-N
XLogP2.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.52
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-(1,2-oxazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-(1,2-oxazol-3-yl)phenyl]acetamide (CID 166414612) is 2-chloro-N-[3-(1,2-oxazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(1,2-oxazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(1,2-oxazol-3-yl)phenyl]acetamide is O=C(CCl)Nc1cccc(-c2ccon2)c1.
What is the InChIKey of 2-chloro-N-[3-(1,2-oxazol-3-yl)phenyl]acetamide?
The InChIKey is BYTSTGUFSITKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-7-11(15)13-9-3-1-2-8(6-9)10-4-5-16-14-10/h1-6H,7H2,(H,13,15).
What are the key properties of 2-chloro-N-[3-(1,2-oxazol-3-yl)phenyl]acetamide?
2-chloro-N-[3-(1,2-oxazol-3-yl)phenyl]acetamide has a molecular weight of 236.66 g/mol, XLogP of 2.52, 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-(1,2-oxazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 166414612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).