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

C14H16N2O3S — CID 49153538

IUPAC2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCOc1cccc(CSCC(=O)Nc2cc(C)no2)c1
InChIInChI=1S/C14H16N2O3S/c1-10-6-14(19-16-10)15-13(17)9-20-8-11-4-3-5-12(7-11)18-2/h3-7H,8-9H2,1-2H3,(H,15,17)
InChIKeyYBTXSKVBWKINCI-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.86
Rot. Bonds6

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

2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 49153538) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID49153538
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCOc1cccc(CSCC(=O)Nc2cc(C)no2)c1
InChIInChI=1S/C14H16N2O3S/c1-10-6-14(19-16-10)15-13(17)9-20-8-11-4-3-5-12(7-11)18-2/h3-7H,8-9H2,1-2H3,(H,15,17)
InChIKeyYBTXSKVBWKINCI-UHFFFAOYSA-N
XLogP2.86
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 75482272
2-benzylsulfanyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 7594665
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3-methoxyphenyl)methylsulfanyl]acetamide
CID 49153749
2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 79682116
N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 75434522
N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide
CID 49153739
N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769045
2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 66232131
2,5-dimethoxy-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 45284631
ethyl 3-[[2-(4-methoxyanilino)-2-oxoethyl]sulfanylmethyl]benzoate
CID 7729626
[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 26168025
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 55661370

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 49153538) is 2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is COc1cccc(CSCC(=O)Nc2cc(C)no2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is YBTXSKVBWKINCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-6-14(19-16-10)15-13(17)9-20-8-11-4-3-5-12(7-11)18-2/h3-7H,8-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 292.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 49153538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).