2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide

C18H23N3O4S — CID 30860068

IUPAC2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C18H23N3O4S/c1-12-16(13(2)25-20-12)10-26-11-17(22)19-14-5-7-15(8-6-14)24-9-18(23)21(3)4/h5-8H,9-11H2,1-4H3,(H,19,22)
InChIKeyUWAOUQKEKNKCRO-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.63
Rot. Bonds8

About 2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide

2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide (PubChem CID 30860068) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide
PubChem CID30860068
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C18H23N3O4S/c1-12-16(13(2)25-20-12)10-26-11-17(22)19-14-5-7-15(8-6-14)24-9-18(23)21(3)4/h5-8H,9-11H2,1-4H3,(H,19,22)
InChIKeyUWAOUQKEKNKCRO-UHFFFAOYSA-N
XLogP2.63
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(4-ethoxyphenoxy)phenyl]acetamide
CID 37034593
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
CID 7362572
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate
CID 4841231
N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 7959804
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922368
ethyl 4-[[2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]oxyacetyl]amino]benzoate
CID 7362556
N-(4-bromo-3-methylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 7771133
ethyl 1-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenyl]-5-methylpyrazole-4-carboxylate
CID 31908892
3-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541216
N,N-dimethyl-2-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenoxy]acetamide
CID 30860081
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 55865738
N-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenyl]oxolane-2-carboxamide
CID 43062564

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide (CID 30860068) is 2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide is Cc1noc(C)c1CSCC(=O)Nc1ccc(OCC(=O)N(C)C)cc1.
What is the InChIKey of 2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide?
The InChIKey is UWAOUQKEKNKCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-12-16(13(2)25-20-12)10-26-11-17(22)19-14-5-7-15(8-6-14)24-9-18(23)21(3)4/h5-8H,9-11H2,1-4H3,(H,19,22).
What are the key properties of 2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide?
2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide has a molecular weight of 377.47 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 30860068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).