2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide

C12H13N3O2 — CID 22626933

IUPAC2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide
SMILESNC(=O)c1ccccc1CCCc1nnco1
InChIInChI=1S/C12H13N3O2/c13-12(16)10-6-2-1-4-9(10)5-3-7-11-15-14-8-17-11/h1-2,4,6,8H,3,5,7H2,(H2,13,16)
InChIKeyUIFUIIYHRNCIMS-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.34
Rot. Bonds5

About 2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide

2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide (PubChem CID 22626933) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide
PubChem CID22626933
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide
SMILESNC(=O)c1ccccc1CCCc1nnco1
InChIInChI=1S/C12H13N3O2/c13-12(16)10-6-2-1-4-9(10)5-3-7-11-15-14-8-17-11/h1-2,4,6,8H,3,5,7H2,(H2,13,16)
InChIKeyUIFUIIYHRNCIMS-UHFFFAOYSA-N
XLogP1.34
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide?
The IUPAC name of 2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide (CID 22626933) is 2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide?
The canonical SMILES for 2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide is NC(=O)c1ccccc1CCCc1nnco1.
What is the InChIKey of 2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide?
The InChIKey is UIFUIIYHRNCIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-12(16)10-6-2-1-4-9(10)5-3-7-11-15-14-8-17-11/h1-2,4,6,8H,3,5,7H2,(H2,13,16).
What are the key properties of 2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide?
2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide has a molecular weight of 231.25 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3,4-oxadiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 22626933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).