N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide

C23H24N2O3S — CID 42948811

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide
SMILESCOc1ccc(-c2cc(CSC(C)C(=O)Nc3ccc4c(c3)CCC4)on2)cc1
InChIInChI=1S/C23H24N2O3S/c1-15(23(26)24-19-9-6-16-4-3-5-18(16)12-19)29-14-21-13-22(25-28-21)17-7-10-20(27-2)11-8-17/h6-13,15H,3-5,14H2,1-2H3,(H,24,26)
InChIKeyDXBSEHQJCFEORG-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.10
Rot. Bonds7

About N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide (PubChem CID 42948811) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide
PubChem CID42948811
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide
SMILESCOc1ccc(-c2cc(CSC(C)C(=O)Nc3ccc4c(c3)CCC4)on2)cc1
InChIInChI=1S/C23H24N2O3S/c1-15(23(26)24-19-9-6-16-4-3-5-18(16)12-19)29-14-21-13-22(25-28-21)17-7-10-20(27-2)11-8-17/h6-13,15H,3-5,14H2,1-2H3,(H,24,26)
InChIKeyDXBSEHQJCFEORG-UHFFFAOYSA-N
XLogP5.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2710612
(2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 41176329
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2640532
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide
CID 134007751
N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
CID 16567178
2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(4-methoxyphenyl)propanamide
CID 42951212
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 51153751
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 1439451
[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate
CID 8733934
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637635
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide (CID 42948811) is N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide is COc1ccc(-c2cc(CSC(C)C(=O)Nc3ccc4c(c3)CCC4)on2)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide?
The InChIKey is DXBSEHQJCFEORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-15(23(26)24-19-9-6-16-4-3-5-18(16)12-19)29-14-21-13-22(25-28-21)17-7-10-20(27-2)11-8-17/h6-13,15H,3-5,14H2,1-2H3,(H,24,26).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide has a molecular weight of 408.52 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propanamide is sourced from PubChem (CID 42948811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).