5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one

C11H10N4O3 — CID 89489491

IUPAC5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one
SMILESNc1nnc(COc2ccc3c(c2)CC(=O)N3)o1
InChIInChI=1S/C11H10N4O3/c12-11-15-14-10(18-11)5-17-7-1-2-8-6(3-7)4-9(16)13-8/h1-3H,4-5H2,(H2,12,15)(H,13,16)
InChIKeyJZXKBFNTVNOZCT-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.73
Rot. Bonds3

About 5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one

5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one (PubChem CID 89489491) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one
PubChem CID89489491
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one
SMILESNc1nnc(COc2ccc3c(c2)CC(=O)N3)o1
InChIInChI=1S/C11H10N4O3/c12-11-15-14-10(18-11)5-17-7-1-2-8-6(3-7)4-9(16)13-8/h1-3H,4-5H2,(H2,12,15)(H,13,16)
InChIKeyJZXKBFNTVNOZCT-UHFFFAOYSA-N
XLogP0.73
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one (CID 89489491) is 5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one is Nc1nnc(COc2ccc3c(c2)CC(=O)N3)o1.
What is the InChIKey of 5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one?
The InChIKey is JZXKBFNTVNOZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c12-11-15-14-10(18-11)5-17-7-1-2-8-6(3-7)4-9(16)13-8/h1-3H,4-5H2,(H2,12,15)(H,13,16).
What are the key properties of 5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one?
5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one has a molecular weight of 246.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-1,3,4-oxadiazol-2-yl)methoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 89489491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).