N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C22H23N3O2 — CID 24622387

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)CCC4)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-2-15-6-8-17(9-7-15)22-24-21(27-25-22)13-12-20(26)23-19-11-10-16-4-3-5-18(16)14-19/h6-11,14H,2-5,12-13H2,1H3,(H,23,26)
InChIKeyWOJWIIMZMMBOBU-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.36
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 24622387) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID24622387
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)CCC4)n2)cc1
InChIInChI=1S/C22H23N3O2/c1-2-15-6-8-17(9-7-15)22-24-21(27-25-22)13-12-20(26)23-19-11-10-16-4-3-5-18(16)14-19/h6-11,14H,2-5,12-13H2,1H3,(H,23,26)
InChIKeyWOJWIIMZMMBOBU-UHFFFAOYSA-N
XLogP4.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9087195
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CID 36705195
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 16622178
N-(3,4-difluorophenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9080473
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 18148953
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 16619188
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
N-butyl-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18150912
N-(9H-fluoren-3-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9378406
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 39966336
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26063123
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 24622387) is N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)CCC4)n2)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is WOJWIIMZMMBOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-15-6-8-17(9-7-15)22-24-21(27-25-22)13-12-20(26)23-19-11-10-16-4-3-5-18(16)14-19/h6-11,14H,2-5,12-13H2,1H3,(H,23,26).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 361.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 24622387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).