[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate

C22H21NO4S — CID 24657470

IUPAC[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
SMILESCOc1ccc(-c2nc(COC(=O)CSc3ccc4c(c3)CCC4)co2)cc1
InChIInChI=1S/C22H21NO4S/c1-25-19-8-5-16(6-9-19)22-23-18(13-27-22)12-26-21(24)14-28-20-10-7-15-3-2-4-17(15)11-20/h5-11,13H,2-4,12,14H2,1H3
InChIKeyZYQCJLDIIJIBAT-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.67
Rot. Bonds7

About [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate

[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate (PubChem CID 24657470) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
PubChem CID24657470
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Name[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
SMILESCOc1ccc(-c2nc(COC(=O)CSc3ccc4c(c3)CCC4)co2)cc1
InChIInChI=1S/C22H21NO4S/c1-25-19-8-5-16(6-9-19)22-23-18(13-27-22)12-26-21(24)14-28-20-10-7-15-3-2-4-17(15)11-20/h5-11,13H,2-4,12,14H2,1H3
InChIKeyZYQCJLDIIJIBAT-UHFFFAOYSA-N
XLogP4.67
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
CID 55537653
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7596397
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate
CID 55538335
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 46816981
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate
CID 55538994
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 30992566
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate
CID 32685436
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate
CID 31718301
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51184678
[2-oxo-2-(propylamino)ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7596639
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 55594217
[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 9309142

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate (CID 24657470) is [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate is COc1ccc(-c2nc(COC(=O)CSc3ccc4c(c3)CCC4)co2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?
The InChIKey is ZYQCJLDIIJIBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-25-19-8-5-16(6-9-19)22-23-18(13-27-22)12-26-21(24)14-28-20-10-7-15-3-2-4-17(15)11-20/h5-11,13H,2-4,12,14H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate has a molecular weight of 395.48 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate is sourced from PubChem (CID 24657470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).