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

C23H24FN3O3S — CID 17464976

IUPAC2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)o1)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H24FN3O3S/c24-20-7-5-19(6-8-20)21-14-26-23(30-21)31-16-22(28)25-13-17-1-3-18(4-2-17)15-27-9-11-29-12-10-27/h1-8,14H,9-13,15-16H2,(H,25,28)
InChIKeyQLJMBJBTWUEMBG-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.72
Rot. Bonds8

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

2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 17464976) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID17464976
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)o1)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C23H24FN3O3S/c24-20-7-5-19(6-8-20)21-14-26-23(30-21)31-16-22(28)25-13-17-1-3-18(4-2-17)15-27-9-11-29-12-10-27/h1-8,14H,9-13,15-16H2,(H,25,28)
InChIKeyQLJMBJBTWUEMBG-UHFFFAOYSA-N
XLogP3.72
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]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

Related Compounds

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 78834702
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 36949894
N-(4-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773798
N-(4-chlorophenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetamide
CID 50773689
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-phenylacetamide
CID 50773647
1-[(4-fluorophenyl)methyl]-2-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111232589
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-6-oxopyrimidine-4-carboxamide
CID 54712036
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7907035
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46692840
1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(pyridin-4-ylmethyl)urea
CID 86916245
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 17464976) is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is O=C(CSc1ncc(-c2ccc(F)cc2)o1)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is QLJMBJBTWUEMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c24-20-7-5-19(6-8-20)21-14-26-23(30-21)31-16-22(28)25-13-17-1-3-18(4-2-17)15-27-9-11-29-12-10-27/h1-8,14H,9-13,15-16H2,(H,25,28).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 441.53 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 17464976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).