N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide

C17H12Cl2N2O2 — CID 2726454

IUPACN-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1
InChIInChI=1S/C17H12Cl2N2O2/c1-10(22)20-12-5-2-4-11(8-12)16-9-15(21-23-16)17-13(18)6-3-7-14(17)19/h2-9H,1H3,(H,20,22)
InChIKeyXIXCJTSEWRSESZ-UHFFFAOYSA-N
MW347.20 g/mol
LogP5.27
Rot. Bonds3

About N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide

N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide (PubChem CID 2726454) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
PubChem CID2726454
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC NameN-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1
InChIInChI=1S/C17H12Cl2N2O2/c1-10(22)20-12-5-2-4-11(8-12)16-9-15(21-23-16)17-13(18)6-3-7-14(17)19/h2-9H,1H3,(H,20,22)
InChIKeyXIXCJTSEWRSESZ-UHFFFAOYSA-N
XLogP5.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.20
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide (CID 2726454) is N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1.
What is the InChIKey of N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide?
The InChIKey is XIXCJTSEWRSESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-10(22)20-12-5-2-4-11(8-12)16-9-15(21-23-16)17-13(18)6-3-7-14(17)19/h2-9H,1H3,(H,20,22).
What are the key properties of N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide?
N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide has a molecular weight of 347.20 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 2726454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).