N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C13H12Cl2N2O2 — CID 17173585

IUPACN-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O2/c1-3-9-11(7(2)19-17-9)13(18)16-10-6-4-5-8(14)12(10)15/h4-6H,3H2,1-2H3,(H,16,18)
InChIKeyKUHHJNZFGFJKSI-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.10
Rot. Bonds3

About N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 17173585) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID17173585
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC NameN-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O2/c1-3-9-11(7(2)19-17-9)13(18)16-10-6-4-5-8(14)12(10)15/h4-6H,3H2,1-2H3,(H,16,18)
InChIKeyKUHHJNZFGFJKSI-UHFFFAOYSA-N
XLogP4.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 17173585) is N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KUHHJNZFGFJKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-3-9-11(7(2)19-17-9)13(18)16-10-6-4-5-8(14)12(10)15/h4-6H,3H2,1-2H3,(H,16,18).
What are the key properties of N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 299.16 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17173585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).