1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one

C18H16N4O2 — CID 133482727

IUPAC1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCNc1noc(-c2ccccc2)n1
InChIInChI=1S/C18H16N4O2/c23-16-12-14-8-4-5-9-15(14)22(16)11-10-19-18-20-17(24-21-18)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)
InChIKeyOBBPKDMQWIZAJX-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.74
Rot. Bonds5

About 1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one

1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one (PubChem CID 133482727) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one
PubChem CID133482727
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCNc1noc(-c2ccccc2)n1
InChIInChI=1S/C18H16N4O2/c23-16-12-14-8-4-5-9-15(14)22(16)11-10-19-18-20-17(24-21-18)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)
InChIKeyOBBPKDMQWIZAJX-UHFFFAOYSA-N
XLogP2.74
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one?
The IUPAC name of 1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one (CID 133482727) is 1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one.
What is the SMILES notation for 1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one?
The canonical SMILES for 1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one is O=C1Cc2ccccc2N1CCNc1noc(-c2ccccc2)n1.
What is the InChIKey of 1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one?
The InChIKey is OBBPKDMQWIZAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-16-12-14-8-4-5-9-15(14)22(16)11-10-19-18-20-17(24-21-18)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21).
What are the key properties of 1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one?
1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one has a molecular weight of 320.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]-3H-indol-2-one is sourced from PubChem (CID 133482727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).