3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione

C16H15N3O3 — CID 40693738

IUPAC3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione
SMILESCC(=O)C(C(C)=O)n1c(-c2nnc(C)o2)cc2ccccc21
InChIInChI=1S/C16H15N3O3/c1-9(20)15(10(2)21)19-13-7-5-4-6-12(13)8-14(19)16-18-17-11(3)22-16/h4-8,15H,1-3H3
InChIKeyDLAOGDVADIBOMQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.72
Rot. Bonds4

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

3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione (PubChem CID 40693738) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione.

Molecular Properties

Compound Name3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione
PubChem CID40693738
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione
SMILESCC(=O)C(C(C)=O)n1c(-c2nnc(C)o2)cc2ccccc21
InChIInChI=1S/C16H15N3O3/c1-9(20)15(10(2)21)19-13-7-5-4-6-12(13)8-14(19)16-18-17-11(3)22-16/h4-8,15H,1-3H3
InChIKeyDLAOGDVADIBOMQ-UHFFFAOYSA-N
XLogP2.72
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione
CID 40693833
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propan-2-ylacetamide
CID 18569319
2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole
CID 40693672
2-methyl-5-[1-[(2-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole
CID 18569305
4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide
CID 18569301
2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-5-methyl-1,3,4-oxadiazole
CID 18569336
2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole
CID 40694001
1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one
CID 40693905
N-tert-butyl-2-[[5-(1-methylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 46266290
N-phenyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 26842357
N-(furan-2-ylmethyl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16896715
ethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate
CID 41160175

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione?
The IUPAC name of 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione (CID 40693738) is 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione.
What is the SMILES notation for 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione?
The canonical SMILES for 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione is CC(=O)C(C(C)=O)n1c(-c2nnc(C)o2)cc2ccccc21.
What is the InChIKey of 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione?
The InChIKey is DLAOGDVADIBOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-9(20)15(10(2)21)19-13-7-5-4-6-12(13)8-14(19)16-18-17-11(3)22-16/h4-8,15H,1-3H3.
What are the key properties of 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione?
3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione has a molecular weight of 297.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione is sourced from PubChem (CID 40693738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).