N-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C19H17N3O4 — CID 3244219

IUPACN-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C19H17N3O4/c1-12-2-4-13(5-3-12)19-21-18(26-22-19)9-8-17(23)20-14-6-7-15-16(10-14)25-11-24-15/h2-7,10H,8-9,11H2,1H3,(H,20,23)
InChIKeyHHXGBLMWZWBOGT-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.35
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3244219) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3244219
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C19H17N3O4/c1-12-2-4-13(5-3-12)19-21-18(26-22-19)9-8-17(23)20-14-6-7-15-16(10-14)25-11-24-15/h2-7,10H,8-9,11H2,1H3,(H,20,23)
InChIKeyHHXGBLMWZWBOGT-UHFFFAOYSA-N
XLogP3.35
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3244219) is N-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is HHXGBLMWZWBOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-2-4-13(5-3-12)19-21-18(26-22-19)9-8-17(23)20-14-6-7-15-16(10-14)25-11-24-15/h2-7,10H,8-9,11H2,1H3,(H,20,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 351.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3244219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).