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

C17H17N3O3 — CID 40693833

IUPAC3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione
SMILESCCc1nnc(-c2cc3ccccc3n2C(C(C)=O)C(C)=O)o1
InChIInChI=1S/C17H17N3O3/c1-4-15-18-19-17(23-15)14-9-12-7-5-6-8-13(12)20(14)16(10(2)21)11(3)22/h5-9,16H,4H2,1-3H3
InChIKeyIBFOULSQWBMPHP-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.97
Rot. Bonds5

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

3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione (PubChem CID 40693833) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione.

Molecular Properties

Compound Name3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione
PubChem CID40693833
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione
SMILESCCc1nnc(-c2cc3ccccc3n2C(C(C)=O)C(C)=O)o1
InChIInChI=1S/C17H17N3O3/c1-4-15-18-19-17(23-15)14-9-12-7-5-6-8-13(12)20(14)16(10(2)21)11(3)22/h5-9,16H,4H2,1-3H3
InChIKeyIBFOULSQWBMPHP-UHFFFAOYSA-N
XLogP2.97
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.97
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-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione
CID 40693738
1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one
CID 40693905
2-butyl-5-(1-propan-2-ylindol-2-yl)-1,3,4-oxadiazole
CID 40694001
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(2-fluorophenyl)acetamide
CID 26842253
2-ethyl-5-(1-prop-2-ynylindol-2-yl)-1,3,4-oxadiazole
CID 40693763
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 16896709
benzyl 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
CID 40693804
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(2-phenylethyl)acetamide
CID 26842276
2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone
CID 41160183
N-(5-chloro-2-methoxyphenyl)-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16835956
ethyl 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-2-methylpropanoate
CID 41160175
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propan-2-ylacetamide
CID 18569319

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione?
The IUPAC name of 3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione (CID 40693833) is 3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione.
What is the SMILES notation for 3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione?
The canonical SMILES for 3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione is CCc1nnc(-c2cc3ccccc3n2C(C(C)=O)C(C)=O)o1.
What is the InChIKey of 3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione?
The InChIKey is IBFOULSQWBMPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-4-15-18-19-17(23-15)14-9-12-7-5-6-8-13(12)20(14)16(10(2)21)11(3)22/h5-9,16H,4H2,1-3H3.
What are the key properties of 3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione?
3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione has a molecular weight of 311.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]pentane-2,4-dione is sourced from PubChem (CID 40693833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).