6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one

C23H23N3O3 — CID 164980909

IUPAC6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one
SMILESCOc1ccc2[nH]cc(CCCC(=O)CCc3nc(-c4ccccc4)no3)c2c1
InChIInChI=1S/C23H23N3O3/c1-28-19-11-12-21-20(14-19)17(15-24-21)8-5-9-18(27)10-13-22-25-23(26-29-22)16-6-3-2-4-7-16/h2-4,6-7,11-12,14-15,24H,5,8-10,13H2,1H3
InChIKeyFLVBSCVSVINCJD-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.75
Rot. Bonds9

About 6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one

6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one (PubChem CID 164980909) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one.

Molecular Properties

Compound Name6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one
PubChem CID164980909
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one
SMILESCOc1ccc2[nH]cc(CCCC(=O)CCc3nc(-c4ccccc4)no3)c2c1
InChIInChI=1S/C23H23N3O3/c1-28-19-11-12-21-20(14-19)17(15-24-21)8-5-9-18(27)10-13-22-25-23(26-29-22)16-6-3-2-4-7-16/h2-4,6-7,11-12,14-15,24H,5,8-10,13H2,1H3
InChIKeyFLVBSCVSVINCJD-UHFFFAOYSA-N
XLogP4.75
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one with MolForge

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Related Compounds

(2S)-3-(1H-indol-3-yl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]propanoic acid
CID 97233892
4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 10384807
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51132390
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
3-methoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 110293645
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid
CID 119223782
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpropanamide
CID 100760326
methyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyloxy]benzoate
CID 9192156
(4-fluorophenyl) 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 24592484
4-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 51064825
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4-methylpentanoic acid
CID 119188483

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one?
The IUPAC name of 6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one (CID 164980909) is 6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one.
What is the SMILES notation for 6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one?
The canonical SMILES for 6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one is COc1ccc2[nH]cc(CCCC(=O)CCc3nc(-c4ccccc4)no3)c2c1.
What is the InChIKey of 6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one?
The InChIKey is FLVBSCVSVINCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-19-11-12-21-20(14-19)17(15-24-21)8-5-9-18(27)10-13-22-25-23(26-29-22)16-6-3-2-4-7-16/h2-4,6-7,11-12,14-15,24H,5,8-10,13H2,1H3.
What are the key properties of 6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one?
6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one has a molecular weight of 389.46 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-1H-indol-3-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)hexan-3-one is sourced from PubChem (CID 164980909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).