N-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide

C12H11Cl2N3O2 — CID 81178095

IUPACN-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
SMILESO=C(CNCc1ccon1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2N3O2/c13-9-2-1-3-10(14)12(9)16-11(18)7-15-6-8-4-5-19-17-8/h1-5,15H,6-7H2,(H,16,18)
InChIKeyYISKQEJLZVDKDV-UHFFFAOYSA-N
MW300.14 g/mol
LogP2.71
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide

N-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide (PubChem CID 81178095) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.14 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
PubChem CID81178095
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.14 g/mol
Exact Mass299.02
IUPAC NameN-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
SMILESO=C(CNCc1ccon1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H11Cl2N3O2/c13-9-2-1-3-10(14)12(9)16-11(18)7-15-6-8-4-5-19-17-8/h1-5,15H,6-7H2,(H,16,18)
InChIKeyYISKQEJLZVDKDV-UHFFFAOYSA-N
XLogP2.71
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81177334
2-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 43405213
N-(2,6-dichlorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 60695302
N-(2,6-dichlorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306342
N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide
CID 43405278
N-(2-chlorophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110858749
N-cycloheptyl-2-(1,2-oxazol-3-ylmethylamino)acetamide
CID 81177432
3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide
CID 43627349
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 113331820
2-(3-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408733
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
CID 20801

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide (CID 81178095) is N-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide is O=C(CNCc1ccon1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide?
The InChIKey is YISKQEJLZVDKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c13-9-2-1-3-10(14)12(9)16-11(18)7-15-6-8-4-5-19-17-8/h1-5,15H,6-7H2,(H,16,18).
What are the key properties of N-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide?
N-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide has a molecular weight of 300.14 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(1,2-oxazol-3-ylmethylamino)acetamide is sourced from PubChem (CID 81178095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).