N-[3-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]benzamide

C18H17N3O4 — CID 10404917

IUPACN-[3-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]benzamide
SMILESCC1(C)ON=C(c2ccc3c(c2)OCO3)N1NC(=O)c1ccccc1
InChIInChI=1S/C18H17N3O4/c1-18(2)21(19-17(22)12-6-4-3-5-7-12)16(20-25-18)13-8-9-14-15(10-13)24-11-23-14/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyHSQFDCGYTHFDNO-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.49
Rot. Bonds3

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

N-[3-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]benzamide (PubChem CID 10404917) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]benzamide
PubChem CID10404917
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[3-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]benzamide
SMILESCC1(C)ON=C(c2ccc3c(c2)OCO3)N1NC(=O)c1ccccc1
InChIInChI=1S/C18H17N3O4/c1-18(2)21(19-17(22)12-6-4-3-5-7-12)16(20-25-18)13-8-9-14-15(10-13)24-11-23-14/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyHSQFDCGYTHFDNO-UHFFFAOYSA-N
XLogP2.49
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]benzamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]benzamide (CID 10404917) is N-[3-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]benzamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]benzamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]benzamide is CC1(C)ON=C(c2ccc3c(c2)OCO3)N1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]benzamide?
The InChIKey is HSQFDCGYTHFDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-18(2)21(19-17(22)12-6-4-3-5-7-12)16(20-25-18)13-8-9-14-15(10-13)24-11-23-14/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]benzamide?
N-[3-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]benzamide has a molecular weight of 339.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]benzamide is sourced from PubChem (CID 10404917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).