2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide

C18H17FN2O3S2 — CID 5308665

IUPAC2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1oc(-c2ccccc2F)nc1CS(=O)CC(=O)NCc1cccs1
InChIInChI=1S/C18H17FN2O3S2/c1-12-16(21-18(24-12)14-6-2-3-7-15(14)19)10-26(23)11-17(22)20-9-13-5-4-8-25-13/h2-8H,9-11H2,1H3,(H,20,22)
InChIKeyKIJDHHHUYGJFAW-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.42
Rot. Bonds7

About 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide

2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 5308665) has the molecular formula C18H17FN2O3S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID5308665
Molecular FormulaC18H17FN2O3S2
Molecular Weight392.48 g/mol
Exact Mass392.07
IUPAC Name2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1oc(-c2ccccc2F)nc1CS(=O)CC(=O)NCc1cccs1
InChIInChI=1S/C18H17FN2O3S2/c1-12-16(21-18(24-12)14-6-2-3-7-15(14)19)10-26(23)11-17(22)20-9-13-5-4-8-25-13/h2-8H,9-11H2,1H3,(H,20,22)
InChIKeyKIJDHHHUYGJFAW-UHFFFAOYSA-N
XLogP3.42
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide (CID 5308665) is 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide is Cc1oc(-c2ccccc2F)nc1CS(=O)CC(=O)NCc1cccs1.
What is the InChIKey of 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KIJDHHHUYGJFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S2/c1-12-16(21-18(24-12)14-6-2-3-7-15(14)19)10-26(23)11-17(22)20-9-13-5-4-8-25-13/h2-8H,9-11H2,1H3,(H,20,22).
What are the key properties of 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 392.48 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 5308665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).