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

C16H19ClN4O3 — CID 46987458

IUPAC4-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N(C)Cc1noc(CC)n1
InChIInChI=1S/C16H19ClN4O3/c1-4-14(22)18-12-8-10(17)6-7-11(12)16(23)21(3)9-13-19-15(5-2)24-20-13/h6-8H,4-5,9H2,1-3H3,(H,18,22)
InChIKeyIXYINOYEPJPUJD-UHFFFAOYSA-N
MW350.81 g/mol
LogP2.91
Rot. Bonds6

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

4-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(propanoylamino)benzamide (PubChem CID 46987458) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is 4-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(propanoylamino)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(propanoylamino)benzamide
PubChem CID46987458
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC Name4-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N(C)Cc1noc(CC)n1
InChIInChI=1S/C16H19ClN4O3/c1-4-14(22)18-12-8-10(17)6-7-11(12)16(23)21(3)9-13-19-15(5-2)24-20-13/h6-8H,4-5,9H2,1-3H3,(H,18,22)
InChIKeyIXYINOYEPJPUJD-UHFFFAOYSA-N
XLogP2.91
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(propanoylamino)benzamide?
The IUPAC name of 4-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(propanoylamino)benzamide (CID 46987458) is 4-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(propanoylamino)benzamide.
What is the SMILES notation for 4-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(propanoylamino)benzamide?
The canonical SMILES for 4-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(propanoylamino)benzamide is CCC(=O)Nc1cc(Cl)ccc1C(=O)N(C)Cc1noc(CC)n1.
What is the InChIKey of 4-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(propanoylamino)benzamide?
The InChIKey is IXYINOYEPJPUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-4-14(22)18-12-8-10(17)6-7-11(12)16(23)21(3)9-13-19-15(5-2)24-20-13/h6-8H,4-5,9H2,1-3H3,(H,18,22).
What are the key properties of 4-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(propanoylamino)benzamide?
4-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(propanoylamino)benzamide has a molecular weight of 350.81 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(propanoylamino)benzamide is sourced from PubChem (CID 46987458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).