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

C12H8ClN3O3 — CID 28782819

IUPAC5-chloro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
SMILESCc1nnc(CN2C(=O)C(=O)c3cc(Cl)ccc32)o1
InChIInChI=1S/C12H8ClN3O3/c1-6-14-15-10(19-6)5-16-9-3-2-7(13)4-8(9)11(17)12(16)18/h2-4H,5H2,1H3
InChIKeyYPFMLRCZRKBQEB-UHFFFAOYSA-N
MW277.67 g/mol
LogP1.76
Rot. Bonds2

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

5-chloro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione (PubChem CID 28782819) has the molecular formula C12H8ClN3O3 and a molecular weight of 277.67 g/mol. Its IUPAC name is 5-chloro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
PubChem CID28782819
Molecular FormulaC12H8ClN3O3
Molecular Weight277.67 g/mol
Exact Mass277.03
IUPAC Name5-chloro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
SMILESCc1nnc(CN2C(=O)C(=O)c3cc(Cl)ccc32)o1
InChIInChI=1S/C12H8ClN3O3/c1-6-14-15-10(19-6)5-16-9-3-2-7(13)4-8(9)11(17)12(16)18/h2-4H,5H2,1H3
InChIKeyYPFMLRCZRKBQEB-UHFFFAOYSA-N
XLogP1.76
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 51.76
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 5-chloro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-chloro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione (CID 28782819) is 5-chloro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione is Cc1nnc(CN2C(=O)C(=O)c3cc(Cl)ccc32)o1.
What is the InChIKey of 5-chloro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
The InChIKey is YPFMLRCZRKBQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3/c1-6-14-15-10(19-6)5-16-9-3-2-7(13)4-8(9)11(17)12(16)18/h2-4H,5H2,1H3.
What are the key properties of 5-chloro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione?
5-chloro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione has a molecular weight of 277.67 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 28782819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).