N-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide

C15H11Cl2N3O2S — CID 3658116

IUPACN-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1onc(C)c1-c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C15H11Cl2N3O2S/c1-7-13(14(22-20-7)18-8(2)21)15-19-12(6-23-15)10-4-3-9(16)5-11(10)17/h3-6H,1-2H3,(H,18,21)
InChIKeyPQJCEHNZVZCFBB-UHFFFAOYSA-N
MW368.25 g/mol
LogP5.04
Rot. Bonds3

About N-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide

N-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide (PubChem CID 3658116) has the molecular formula C15H11Cl2N3O2S and a molecular weight of 368.25 g/mol. Its IUPAC name is N-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide
PubChem CID3658116
Molecular FormulaC15H11Cl2N3O2S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC NameN-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)Nc1onc(C)c1-c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C15H11Cl2N3O2S/c1-7-13(14(22-20-7)18-8(2)21)15-19-12(6-23-15)10-4-3-9(16)5-11(10)17/h3-6H,1-2H3,(H,18,21)
InChIKeyPQJCEHNZVZCFBB-UHFFFAOYSA-N
XLogP5.04
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.25
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide (CID 3658116) is N-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide is CC(=O)Nc1onc(C)c1-c1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of N-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide?
The InChIKey is PQJCEHNZVZCFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2S/c1-7-13(14(22-20-7)18-8(2)21)15-19-12(6-23-15)10-4-3-9(16)5-11(10)17/h3-6H,1-2H3,(H,18,21).
What are the key properties of N-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide?
N-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide has a molecular weight of 368.25 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 3658116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).