2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C25H28N2O3S — CID 4174239

IUPAC2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCCOc1ccc(-c2nc(CSCC(=O)NC3CCCc4ccccc43)c(C)o2)cc1
InChIInChI=1S/C25H28N2O3S/c1-3-29-20-13-11-19(12-14-20)25-27-23(17(2)30-25)15-31-16-24(28)26-22-10-6-8-18-7-4-5-9-21(18)22/h4-5,7,9,11-14,22H,3,6,8,10,15-16H2,1-2H3,(H,26,28)
InChIKeyQSQPGPRHGGCJFI-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.48
Rot. Bonds8

About 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4174239) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4174239
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCCOc1ccc(-c2nc(CSCC(=O)NC3CCCc4ccccc43)c(C)o2)cc1
InChIInChI=1S/C25H28N2O3S/c1-3-29-20-13-11-19(12-14-20)25-27-23(17(2)30-25)15-31-16-24(28)26-22-10-6-8-18-7-4-5-9-21(18)22/h4-5,7,9,11-14,22H,3,6,8,10,15-16H2,1-2H3,(H,26,28)
InChIKeyQSQPGPRHGGCJFI-UHFFFAOYSA-N
XLogP5.48
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 4174238
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CID 92700980
2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide
CID 4638993
4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 20916740
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7605781
2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 4187317
N-cycloheptyl-2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 20860232
4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 7973970
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890819
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890821
2-[[5-(4-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41144667
(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 2532930

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4174239) is 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CCOc1ccc(-c2nc(CSCC(=O)NC3CCCc4ccccc43)c(C)o2)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is QSQPGPRHGGCJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-3-29-20-13-11-19(12-14-20)25-27-23(17(2)30-25)15-31-16-24(28)26-22-10-6-8-18-7-4-5-9-21(18)22/h4-5,7,9,11-14,22H,3,6,8,10,15-16H2,1-2H3,(H,26,28).
What are the key properties of 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 436.58 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4174239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).