2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one

C14H13N3O2 — CID 142140817

IUPAC2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1Cc1nc(C2CC2)no1
InChIInChI=1S/C14H13N3O2/c18-14-11-4-2-1-3-10(11)7-17(14)8-12-15-13(16-19-12)9-5-6-9/h1-4,9H,5-8H2
InChIKeyXVGUWWSROFELBQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.10
Rot. Bonds3

About 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one (PubChem CID 142140817) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one
PubChem CID142140817
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1Cc1nc(C2CC2)no1
InChIInChI=1S/C14H13N3O2/c18-14-11-4-2-1-3-10(11)7-17(14)8-12-15-13(16-19-12)9-5-6-9/h1-4,9H,5-8H2
InChIKeyXVGUWWSROFELBQ-UHFFFAOYSA-N
XLogP2.10
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one (CID 142140817) is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one is O=C1c2ccccc2CN1Cc1nc(C2CC2)no1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one?
The InChIKey is XVGUWWSROFELBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-14-11-4-2-1-3-10(11)7-17(14)8-12-15-13(16-19-12)9-5-6-9/h1-4,9H,5-8H2.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one?
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one has a molecular weight of 255.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3H-isoindol-1-one is sourced from PubChem (CID 142140817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).