4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione

C13H10ClN3O3 — CID 61358926

IUPAC4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
SMILESCCc1nnc(CN2C(=O)C(=O)c3c(Cl)cccc32)o1
InChIInChI=1S/C13H10ClN3O3/c1-2-9-15-16-10(20-9)6-17-8-5-3-4-7(14)11(8)12(18)13(17)19/h3-5H,2,6H2,1H3
InChIKeyMPMYSZYXLGVNJR-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.01
Rot. Bonds3

About 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione

4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione (PubChem CID 61358926) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
PubChem CID61358926
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
SMILESCCc1nnc(CN2C(=O)C(=O)c3c(Cl)cccc32)o1
InChIInChI=1S/C13H10ClN3O3/c1-2-9-15-16-10(20-9)6-17-8-5-3-4-7(14)11(8)12(18)13(17)19/h3-5H,2,6H2,1H3
InChIKeyMPMYSZYXLGVNJR-UHFFFAOYSA-N
XLogP2.01
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione (CID 61358926) is 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione is CCc1nnc(CN2C(=O)C(=O)c3c(Cl)cccc32)o1.
What is the InChIKey of 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
The InChIKey is MPMYSZYXLGVNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-2-9-15-16-10(20-9)6-17-8-5-3-4-7(14)11(8)12(18)13(17)19/h3-5H,2,6H2,1H3.
What are the key properties of 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione has a molecular weight of 291.69 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61358926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).