2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide

C15H17FN2O2S — CID 75426994

IUPAC2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCC(C)(C)c1cnc(SCC(=O)Nc2ccccc2F)o1
InChIInChI=1S/C15H17FN2O2S/c1-15(2,3)12-8-17-14(20-12)21-9-13(19)18-11-7-5-4-6-10(11)16/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyPNFVQQATACVPFK-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.84
Rot. Bonds4

About 2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide

2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 75426994) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID75426994
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCC(C)(C)c1cnc(SCC(=O)Nc2ccccc2F)o1
InChIInChI=1S/C15H17FN2O2S/c1-15(2,3)12-8-17-14(20-12)21-9-13(19)18-11-7-5-4-6-10(11)16/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyPNFVQQATACVPFK-UHFFFAOYSA-N
XLogP3.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)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-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide (CID 75426994) is 2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is CC(C)(C)c1cnc(SCC(=O)Nc2ccccc2F)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is PNFVQQATACVPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-15(2,3)12-8-17-14(20-12)21-9-13(19)18-11-7-5-4-6-10(11)16/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 308.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 75426994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).