2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide

C19H17FN2O3S — CID 16603643

IUPAC2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H17FN2O3S/c1-24-16-4-2-3-13(9-16)10-21-18(23)12-26-19-22-11-17(25-19)14-5-7-15(20)8-6-14/h2-9,11H,10,12H2,1H3,(H,21,23)
InChIKeyZZZDQEUCULFFBF-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.90
Rot. Bonds7

About 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide

2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 16603643) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID16603643
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H17FN2O3S/c1-24-16-4-2-3-13(9-16)10-21-18(23)12-26-19-22-11-17(25-19)14-5-7-15(20)8-6-14/h2-9,11H,10,12H2,1H3,(H,21,23)
InChIKeyZZZDQEUCULFFBF-UHFFFAOYSA-N
XLogP3.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 16603643) is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is ZZZDQEUCULFFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-24-16-4-2-3-13(9-16)10-21-18(23)12-26-19-22-11-17(25-19)14-5-7-15(20)8-6-14/h2-9,11H,10,12H2,1H3,(H,21,23).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 372.42 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 16603643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).