2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide

C13H16N4O2 — CID 47312708

IUPAC2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
SMILESCCCc1noc(CNc2ccccc2C(N)=O)n1
InChIInChI=1S/C13H16N4O2/c1-2-5-11-16-12(19-17-11)8-15-10-7-4-3-6-9(10)13(14)18/h3-4,6-7,15H,2,5,8H2,1H3,(H2,14,18)
InChIKeyWFFVMMOOULZSDG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.73
Rot. Bonds6

About 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide

2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide (PubChem CID 47312708) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
PubChem CID47312708
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
SMILESCCCc1noc(CNc2ccccc2C(N)=O)n1
InChIInChI=1S/C13H16N4O2/c1-2-5-11-16-12(19-17-11)8-15-10-7-4-3-6-9(10)13(14)18/h3-4,6-7,15H,2,5,8H2,1H3,(H2,14,18)
InChIKeyWFFVMMOOULZSDG-UHFFFAOYSA-N
XLogP1.73
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The IUPAC name of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide (CID 47312708) is 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide.
What is the SMILES notation for 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The canonical SMILES for 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide is CCCc1noc(CNc2ccccc2C(N)=O)n1.
What is the InChIKey of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The InChIKey is WFFVMMOOULZSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-5-11-16-12(19-17-11)8-15-10-7-4-3-6-9(10)13(14)18/h3-4,6-7,15H,2,5,8H2,1H3,(H2,14,18).
What are the key properties of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide has a molecular weight of 260.30 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide is sourced from PubChem (CID 47312708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).