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

C15H15N3O3 — CID 61495309

IUPAC5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
SMILESCCCc1noc(CN2C(=O)C(=O)c3cc(C)ccc32)n1
InChIInChI=1S/C15H15N3O3/c1-3-4-12-16-13(21-17-12)8-18-11-6-5-9(2)7-10(11)14(19)15(18)20/h5-7H,3-4,8H2,1-2H3
InChIKeyCOSDIPQUYJXSKW-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.06
Rot. Bonds4

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

5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione (PubChem CID 61495309) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
PubChem CID61495309
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
SMILESCCCc1noc(CN2C(=O)C(=O)c3cc(C)ccc32)n1
InChIInChI=1S/C15H15N3O3/c1-3-4-12-16-13(21-17-12)8-18-11-6-5-9(2)7-10(11)14(19)15(18)20/h5-7H,3-4,8H2,1-2H3
InChIKeyCOSDIPQUYJXSKW-UHFFFAOYSA-N
XLogP2.06
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.06
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-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione (CID 61495309) is 5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione is CCCc1noc(CN2C(=O)C(=O)c3cc(C)ccc32)n1.
What is the InChIKey of 5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
The InChIKey is COSDIPQUYJXSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-3-4-12-16-13(21-17-12)8-18-11-6-5-9(2)7-10(11)14(19)15(18)20/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione?
5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione has a molecular weight of 285.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61495309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).