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

C22H23N3O4 — CID 136512289

IUPAC3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)NC3c4ccccc4CC3O)n2)cc1
InChIInChI=1S/C22H23N3O4/c1-2-28-16-9-7-14(8-10-16)22-24-20(29-25-22)12-11-19(27)23-21-17-6-4-3-5-15(17)13-18(21)26/h3-10,18,21,26H,2,11-13H2,1H3,(H,23,27)
InChIKeyLGPNABGXANWDHB-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.84
Rot. Bonds7

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

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide (PubChem CID 136512289) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide.

Molecular Properties

Compound Name3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
PubChem CID136512289
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)NC3c4ccccc4CC3O)n2)cc1
InChIInChI=1S/C22H23N3O4/c1-2-28-16-9-7-14(8-10-16)22-24-20(29-25-22)12-11-19(27)23-21-17-6-4-3-5-15(17)13-18(21)26/h3-10,18,21,26H,2,11-13H2,1H3,(H,23,27)
InChIKeyLGPNABGXANWDHB-UHFFFAOYSA-N
XLogP2.84
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-3-ylpropanamide
CID 119425088
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 55569695
3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 110903509
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide
CID 37133491
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46476811
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpropanamide
CID 46586148
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 37266459
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 39638742
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119606091
N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198211

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide (CID 136512289) is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide.
What is the SMILES notation for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The canonical SMILES for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide is CCOc1ccc(-c2noc(CCC(=O)NC3c4ccccc4CC3O)n2)cc1.
What is the InChIKey of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
The InChIKey is LGPNABGXANWDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-2-28-16-9-7-14(8-10-16)22-24-20(29-25-22)12-11-19(27)23-21-17-6-4-3-5-15(17)13-18(21)26/h3-10,18,21,26H,2,11-13H2,1H3,(H,23,27).
What are the key properties of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide?
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide has a molecular weight of 393.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide is sourced from PubChem (CID 136512289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).