3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide

C18H23N3O5 — CID 42113274

IUPAC3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide
SMILESCOCCN(C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1)C(C)C
InChIInChI=1S/C18H23N3O5/c1-12(2)21(8-9-23-3)17(22)7-6-16-19-20-18(26-16)13-4-5-14-15(10-13)25-11-24-14/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyLLDOTOWZCRSEKN-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.28
Rot. Bonds8

About 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide

3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide (PubChem CID 42113274) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide
PubChem CID42113274
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide
SMILESCOCCN(C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1)C(C)C
InChIInChI=1S/C18H23N3O5/c1-12(2)21(8-9-23-3)17(22)7-6-16-19-20-18(26-16)13-4-5-14-15(10-13)25-11-24-14/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyLLDOTOWZCRSEKN-UHFFFAOYSA-N
XLogP2.28
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide (CID 42113274) is 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide is COCCN(C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1)C(C)C.
What is the InChIKey of 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide?
The InChIKey is LLDOTOWZCRSEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-12(2)21(8-9-23-3)17(22)7-6-16-19-20-18(26-16)13-4-5-14-15(10-13)25-11-24-14/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide?
3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide has a molecular weight of 361.40 g/mol, XLogP of 2.28, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(2-methoxyethyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 42113274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).