1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one

C22H23N3O3 — CID 50789486

IUPAC1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one
SMILESCCc1nc(-c2ccc3c(c2)CCN3C(=O)CCc2ccc(OC)cc2)no1
InChIInChI=1S/C22H23N3O3/c1-3-20-23-22(24-28-20)17-7-10-19-16(14-17)12-13-25(19)21(26)11-6-15-4-8-18(27-2)9-5-15/h4-5,7-10,14H,3,6,11-13H2,1-2H3
InChIKeyRIFXSJJTDNYFNI-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.83
Rot. Bonds6

About 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one

1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one (PubChem CID 50789486) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one
PubChem CID50789486
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one
SMILESCCc1nc(-c2ccc3c(c2)CCN3C(=O)CCc2ccc(OC)cc2)no1
InChIInChI=1S/C22H23N3O3/c1-3-20-23-22(24-28-20)17-7-10-19-16(14-17)12-13-25(19)21(26)11-6-15-4-8-18(27-2)9-5-15/h4-5,7-10,14H,3,6,11-13H2,1-2H3
InChIKeyRIFXSJJTDNYFNI-UHFFFAOYSA-N
XLogP3.83
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110316014
1-(2,3-dihydroindol-1-yl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]ethanone
CID 20912696
N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 53041688
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CID 55873952
1-(2,3-dihydroindol-1-yl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762972
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 110714096
N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109826
1-(cyclopropanecarbonyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 100758290
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 122143073
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 78835844
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 43066706
3-(4-methoxyphenyl)-1-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 52550888

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one (CID 50789486) is 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one is CCc1nc(-c2ccc3c(c2)CCN3C(=O)CCc2ccc(OC)cc2)no1.
What is the InChIKey of 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is RIFXSJJTDNYFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-20-23-22(24-28-20)17-7-10-19-16(14-17)12-13-25(19)21(26)11-6-15-4-8-18(27-2)9-5-15/h4-5,7-10,14H,3,6,11-13H2,1-2H3.
What are the key properties of 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one?
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 377.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 50789486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).