N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide

C19H19N3O5 — CID 35701708

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1nc(-c2ccco2)no1
InChIInChI=1S/C19H19N3O5/c1-22(12-13-4-5-14-16(11-13)26-10-9-25-14)18(23)7-6-17-20-19(21-27-17)15-3-2-8-24-15/h2-5,8,11H,6-7,9-10,12H2,1H3
InChIKeyFZZACLXBJOEZET-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.69
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (PubChem CID 35701708) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
PubChem CID35701708
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1nc(-c2ccco2)no1
InChIInChI=1S/C19H19N3O5/c1-22(12-13-4-5-14-16(11-13)26-10-9-25-14)18(23)7-6-17-20-19(21-27-17)15-3-2-8-24-15/h2-5,8,11H,6-7,9-10,12H2,1H3
InChIKeyFZZACLXBJOEZET-UHFFFAOYSA-N
XLogP2.69
TPSA90.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (CID 35701708) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is CN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1nc(-c2ccco2)no1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The InChIKey is FZZACLXBJOEZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-22(12-13-4-5-14-16(11-13)26-10-9-25-14)18(23)7-6-17-20-19(21-27-17)15-3-2-8-24-15/h2-5,8,11H,6-7,9-10,12H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide has a molecular weight of 369.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is sourced from PubChem (CID 35701708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).