5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide

C15H17ClN4O3 — CID 50959090

IUPAC5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
SMILESCCc1nc(CN(C)C(=O)c2cc(NC(C)=O)ccc2Cl)no1
InChIInChI=1S/C15H17ClN4O3/c1-4-14-18-13(19-23-14)8-20(3)15(22)11-7-10(17-9(2)21)5-6-12(11)16/h5-7H,4,8H2,1-3H3,(H,17,21)
InChIKeyDWRGVKYAZJQNFD-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.52
Rot. Bonds5

About 5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide

5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide (PubChem CID 50959090) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is 5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
PubChem CID50959090
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
SMILESCCc1nc(CN(C)C(=O)c2cc(NC(C)=O)ccc2Cl)no1
InChIInChI=1S/C15H17ClN4O3/c1-4-14-18-13(19-23-14)8-20(3)15(22)11-7-10(17-9(2)21)5-6-12(11)16/h5-7H,4,8H2,1-3H3,(H,17,21)
InChIKeyDWRGVKYAZJQNFD-UHFFFAOYSA-N
XLogP2.52
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide?
The IUPAC name of 5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide (CID 50959090) is 5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide is CCc1nc(CN(C)C(=O)c2cc(NC(C)=O)ccc2Cl)no1.
What is the InChIKey of 5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide?
The InChIKey is DWRGVKYAZJQNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-4-14-18-13(19-23-14)8-20(3)15(22)11-7-10(17-9(2)21)5-6-12(11)16/h5-7H,4,8H2,1-3H3,(H,17,21).
What are the key properties of 5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide?
5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide has a molecular weight of 336.78 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 50959090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).