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

C14H13N3O3 — CID 61495391

IUPAC1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
SMILESCCCc1nc(CN2C(=O)C(=O)c3ccccc32)no1
InChIInChI=1S/C14H13N3O3/c1-2-5-12-15-11(16-20-12)8-17-10-7-4-3-6-9(10)13(18)14(17)19/h3-4,6-7H,2,5,8H2,1H3
InChIKeyURAJKRACETVACQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.75
Rot. Bonds4

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

1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione (PubChem CID 61495391) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
PubChem CID61495391
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
SMILESCCCc1nc(CN2C(=O)C(=O)c3ccccc32)no1
InChIInChI=1S/C14H13N3O3/c1-2-5-12-15-11(16-20-12)8-17-10-7-4-3-6-9(10)13(18)14(17)19/h3-4,6-7H,2,5,8H2,1H3
InChIKeyURAJKRACETVACQ-UHFFFAOYSA-N
XLogP1.75
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-2,3-dione
CID 61495309
7-bromo-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 61497077
1,1-dioxo-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-benzothiazol-3-one
CID 36658678
1-[[3,5-bis[(2,3-dioxoindol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]indole-2,3-dione
CID 139203556
6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 61355101
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carbaldehyde
CID 66408352
5-propyl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115591565
(4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 95582137
1-[3-(ethylamino)propyl]indole-2,3-dione
CID 61387334
1-(1-adamantyl)-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazolidine-2,4,5-trione
CID 47073138
1-(2-propoxyethyl)indole-2,3-dione
CID 106453634
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 71823742

Frequently Asked Questions

What is the IUPAC name of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
The IUPAC name of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione (CID 61495391) is 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
The canonical SMILES for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione is CCCc1nc(CN2C(=O)C(=O)c3ccccc32)no1.
What is the InChIKey of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
The InChIKey is URAJKRACETVACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-2-5-12-15-11(16-20-12)8-17-10-7-4-3-6-9(10)13(18)14(17)19/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione has a molecular weight of 271.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61495391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).