2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C19H24N4O3 — CID 71783689

IUPAC2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)NCC1CCCO1
InChIInChI=1S/C19H24N4O3/c24-18(20-10-16-7-4-8-25-16)13-23-11-15(12-23)19-21-17(22-26-19)9-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,20,24)
InChIKeyJZNZUNBACIAJJB-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.35
Rot. Bonds7

About 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 71783689) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID71783689
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)NCC1CCCO1
InChIInChI=1S/C19H24N4O3/c24-18(20-10-16-7-4-8-25-16)13-23-11-15(12-23)19-21-17(22-26-19)9-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,20,24)
InChIKeyJZNZUNBACIAJJB-UHFFFAOYSA-N
XLogP1.35
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 71783689) is 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)NCC1CCCO1.
What is the InChIKey of 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is JZNZUNBACIAJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-18(20-10-16-7-4-8-25-16)13-23-11-15(12-23)19-21-17(22-26-19)9-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,20,24).
What are the key properties of 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 356.43 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 71783689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).