N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide

C20H19N3O4 — CID 2215334

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H19N3O4/c1-13(2)23(20(24)15-8-9-16-17(10-15)26-12-25-16)11-18-21-19(22-27-18)14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3
InChIKeyMTFOZQZDQVVKQH-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.52
Rot. Bonds5

About N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide (PubChem CID 2215334) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
PubChem CID2215334
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H19N3O4/c1-13(2)23(20(24)15-8-9-16-17(10-15)26-12-25-16)11-18-21-19(22-27-18)14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3
InChIKeyMTFOZQZDQVVKQH-UHFFFAOYSA-N
XLogP3.52
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide (CID 2215334) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide is CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide?
The InChIKey is MTFOZQZDQVVKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13(2)23(20(24)15-8-9-16-17(10-15)26-12-25-16)11-18-21-19(22-27-18)14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 2215334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).