1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one

C16H17N3O2 — CID 40693905

IUPAC1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one
SMILESCCCc1nnc(-c2cc3ccccc3n2CC(C)=O)o1
InChIInChI=1S/C16H17N3O2/c1-3-6-15-17-18-16(21-15)14-9-12-7-4-5-8-13(12)19(14)10-11(2)20/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyIXUONFHVVSTLSM-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.23
Rot. Bonds5

About 1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one

1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one (PubChem CID 40693905) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one
PubChem CID40693905
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one
SMILESCCCc1nnc(-c2cc3ccccc3n2CC(C)=O)o1
InChIInChI=1S/C16H17N3O2/c1-3-6-15-17-18-16(21-15)14-9-12-7-4-5-8-13(12)19(14)10-11(2)20/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyIXUONFHVVSTLSM-UHFFFAOYSA-N
XLogP3.23
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 26842301
2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone
CID 41160183
1-(2,3-dihydroindol-1-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
CID 16835963
N-[(4-fluorophenyl)methyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 26842332
N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16835967
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16835973
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(2-phenylethyl)acetamide
CID 26842276
4-[2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethyl]morpholine
CID 29173424
2-[1-(2-piperidin-1-ylethyl)indol-2-yl]-5-propyl-1,3,4-oxadiazole
CID 40693861
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-fluorophenyl)acetamide
CID 26842253
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 16896709

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one?
The IUPAC name of 1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one (CID 40693905) is 1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one.
What is the SMILES notation for 1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one?
The canonical SMILES for 1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one is CCCc1nnc(-c2cc3ccccc3n2CC(C)=O)o1.
What is the InChIKey of 1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one?
The InChIKey is IXUONFHVVSTLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-6-15-17-18-16(21-15)14-9-12-7-4-5-8-13(12)19(14)10-11(2)20/h4-5,7-9H,3,6,10H2,1-2H3.
What are the key properties of 1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one?
1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]propan-2-one is sourced from PubChem (CID 40693905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).